alprazolam

物化性质

密度：

1.36g/cm3

熔点：

228-228.50C

沸点：

509ºC at 760mmHg

闪点：

11 °C

折射率：

1.71

蒸汽压：

1.77E-10mmHg at 25°C

存储条件/存储方法：

密封、在2 ºC -8 ºC下保存

稳定性相关：

常温常压下稳定

其它信息：

1. 性状：黄褐色晶体

2. 密度（g/mL,25℃）：1.389

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：230-231

5. 沸点（ºC,常压）：509

6. 沸点（ºC, KPa）：未确定

7. 折射率：未确定

8. 闪点（ºC）：11

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（Pa,70ºC）：未确定

12. 饱和蒸气压（KPa,20ºC）：未确定

13. 燃烧热（KJ/mol）：77.9

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：不溶于水

安全信息

密度：

1.36g/cm3

熔点：

228-228.50C

沸点：

509ºC at 760mmHg

闪点：

11 °C

折射率：

1.71

蒸汽压：

1.77E-10mmHg at 25°C

存储条件/存储方法：

密封、在2 ºC -8 ºC下保存

稳定性相关：

常温常压下稳定

其它信息：

1. 性状：黄褐色晶体

2. 密度（g/mL,25℃）：1.389

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：230-231

5. 沸点（ºC,常压）：509

6. 沸点（ºC, KPa）：未确定

7. 折射率：未确定

8. 闪点（ºC）：11

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（Pa,70ºC）：未确定

12. 饱和蒸气压（KPa,20ºC）：未确定

13. 燃烧热（KJ/mol）：77.9

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：不溶于水

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

XZ5473000

CHEMICAL NAME :

4H-s-Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-1-methyl-6-phenyl-

CAS REGISTRY NUMBER :

28981-97-7

LAST UPDATED :

199612

DATA ITEMS CITED :

13

MOLECULAR FORMULA :

C17-H13-Cl-N4

MOLECULAR WEIGHT :

308.79

WISWESSER LINE NOTATION :

T B576 BN DNN HN GHJ C1 IR& LG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

20 ug/kg/1D-I

TOXIC EFFECTS :

Behavioral - euphoria

REFERENCE :

AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc., Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921- Volume(issue)/page/year: 141,1127,1984

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

160 ug/kg/4D-I

TOXIC EFFECTS :

Behavioral - excitement

REFERENCE :

AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc., Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921- Volume(issue)/page/year: 142,859,1985

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1220 mg/kg

TOXIC EFFECTS :

Behavioral - changes in motor activity (specific assay) Behavioral - antipsychotic Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :

YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4695,1980

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

355 mg/kg

TOXIC EFFECTS :

Behavioral - changes in motor activity (specific assay) Behavioral - antipsychotic Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :

YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4695,1980

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>5 gm/kg

TOXIC EFFECTS :

Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) Behavioral - food intake (animal) Behavioral - ataxia

REFERENCE :

YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4695,1980

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

770 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic)

REFERENCE :

CKFRAY Ceskoslovenska Farmacie. (PNS-Ustredni Expedice a Dovoz Tisku, Kafkova 19, 160 00 Prague 6, Czechoslovakia) V.1- 1952- Volume(issue)/page/year: 37,443,1988

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

380 mg/kg

TOXIC EFFECTS :

Behavioral - food intake (animal) Behavioral - muscle weakness Behavioral - antipsychotic

REFERENCE :

YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4687,1980

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

>5 gm/kg

TOXIC EFFECTS :

Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) Behavioral - food intake (animal)

REFERENCE :

YACHDS Yakuri to Chiryo. Pharmacology and Therapeutics. (Raifu Saiensu Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan) V.1- 1972- Volume(issue)/page/year: 8,4687,1980 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3500 mg/kg/5W-I

TOXIC EFFECTS :

Liver - changes in liver weight Endocrine - changes in thymus weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

JZKEDZ Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. (Jikken Dobutsu Chuo Kenkyusho, 1433 Nogawa, Takatsu-ku, Kawasaki 211, Japan) V.1- 1975- Volume(issue)/page/year: 7,43,1981 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

7 mg/kg

SEX/DURATION :

female 1-39 week(s) after conception lactating female 1 week(s) post-birth

TOXIC EFFECTS :

Reproductive - Effects on Newborn - behavioral

REFERENCE :

DICPBB Drug Intelligence and Clinical Pharmacy. (POB 42435, Cincinnati, OH 45242) V.3- 1969- Volume(issue)/page/year: 23,614,1989

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

550 mg/kg

SEX/DURATION :

female 7-17 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system

REFERENCE :

JZKEDZ Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. (Jikken Dobutsu Chuo Kenkyusho, 1433 Nogawa, Takatsu-ku, Kawasaki 211, Japan) V.1- 1975- Volume(issue)/page/year: 7,65,1981

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

39 mg/kg

SEX/DURATION :

female 6-18 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

REFERENCE :

JZKEDZ Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. (Jikken Dobutsu Chuo Kenkyusho, 1433 Nogawa, Takatsu-ku, Kawasaki 211, Japan) V.1- 1975- Volume(issue)/page/year: 7,79,1981

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

195 mg/kg

SEX/DURATION :

female 6-18 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system

REFERENCE :

JZKEDZ Jitchuken Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Research Reports. (Jikken Dobutsu Chuo Kenkyusho, 1433 Nogawa, Takatsu-ku, Kawasaki 211, Japan) V.1- 1975- Volume(issue)/page/year: 7,79,1981

生态数据：

若无政府许可，勿将材料排入周围环境。

MSDS

Section 1. Chemical Product and Company Identification
AlprazolamCatalog
AL400
Common Name/
Number(s).
Trade Name
CAS#28981-97-7
Manufacturer
RTECSXZ5473000
SPECTRUM QUALITY PRODUCTS INC.
TSCATSCA 8(b) inventory: No
products were found.
Commercial Name(s)Not available.
CI# Not available.
Synonym8-Chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
IN CASE OF EMERGENCY
Not available.
Chemical Name
Chemical FamilyNot available.CALL (310) 516-8000
C17H13Cl4N4
Chemical Formula
SPECTRUM QUALITY PRODUCTS INC.
Section 2.Composition and Information on Ingredients
Exposure Limits
TWA (mg/m3)STEL (mg/m3) CEIL (mg/m3)
NameCAS #% by Weight
1) Alprazolam28981-97-7100
Toxicological DataAlprazolam:
on IngredientsORAL (LD50):Acute: 1220 mg/kg [Rat]. 770 mg/kg [Mouse].
Section 3. Hazards Identification
Potential Acute Health Effects Hazardous in case of ingestion. Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of
inhalation.
Potential Chronic HealthHazardous in case of ingestion.
Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of inhalation.
Effects
CARCINOGENIC EFFECTS: Not available.
MUTAGENIC EFFECTS: Not available.
TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: Not available.
Alprazolam
Section 4. First Aid Measures
Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at
least 15 minutes. Get medical attention if irritation occurs.
Skin ContactWash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
Serious Skin ContactNot available.
InhalationIf inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
medical attention.
Serious InhalationNot available.
IngestionDo NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
clothing such as a collar, tie, belt or waistband.
Serious IngestionNot available.
Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Flash PointsNot available.
Flammable LimitsNot available.
Products of CombustionThese products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...), halogenated compounds.
Fire Hazards in Presence of Not available.
Various Substances
Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
of Various Substances
SMALL FIRE: Use DRY chemical powder.
Fire Fighting Media
and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet.
Not available.
Special Remarks on
Fire Hazards
Special Remarks on Explosion Not available.
Hazards
Section 6. Accidental Release Measures
Small SpillUse appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by
spreading water on the contaminated surface and dispose of according to local and regional authority
requirements.
Large SpillUse a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
on the contaminated surface and allow to evacuate through the sanitary system.
Alprazolam
Section 7. Handling and Storage
PrecautionsKeep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the
residue under a fume hood. Ground all equipment containing material. Do not ingest. Do not breathe dust.
Wear suitable protective clothing. If ingested, seek medical advice immediately and show the container or the
label.
StorageKeep container tightly closed. Keep container in a cool, well-ventilated area.
Section 8. Exposure Controls/Personal Protection
Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal ProtectionSafety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.
Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
a Large Spillto avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist
BEFORE handling this product.
Exposure LimitsNot available.
Section 9. Physical and Chemical Properties
Physical state and appearance Solid.OdorNot available.
Not available.
Taste
Molecular Weight308.77 g/mole
Not available.
Color
Not available.
pH (1% soln/water)
Boiling PointNot available.
Melting Point228°C (442.4°F)
Critical TemperatureNot available.
Specific GravityNot available.
Not applicable.
Vapor Pressure
Vapor DensityNot available.
Not available.
Volatility
Odor ThresholdNot available.
Water/Oil Dist. Coeff.Not available.
Ionicity (in Water)Not available.
Dispersion PropertiesNot available.
SolubilityNot available.
Section 10. Stability and Reactivity Data
StabilityThe product is stable.
Instability TemperatureNot available.
Conditions of InstabilityNot available.
Incompatibility with variousNot available.
substances
CorrosivityNot available.
Alprazolam
Special Remarks onNot available.
Reactivity
Special Remarks onNot available.
Corrosivity
PolymerizationWill not occur.
Section 11. Toxicological Information
Routes of EntryIngestion.
Toxicity to AnimalsAcute oral toxicity (LD50): 770 mg/kg [Mouse].
Chronic Effects on Humans Not available.
Other Toxic Effects onHazardous in case of ingestion.
HumansSlightly hazardous in case of skin contact (irritant), of inhalation.
Special Remarks onNot available.
Toxicity to Animals
Special Remarks onNot available.
Chronic Effects on Humans
Special Remarks on otherNot available.
Toxic Effects on Humans
Section 12. Ecological Information
Not available.
Ecotoxicity
BOD5 and CODNot available.
Products of BiodegradationPossibly hazardous short term degradation products are not likely. However, long term degradation products may
arise.
Toxicity of the ProductsThe products of degradation are more toxic.
of Biodegradation
Special Remarks on theNot available.
Products of Biodegradation
Section 13. Disposal Considerations
Waste Disposal
Section 14. Transport Information
DOT ClassificationNot a DOT controlled material (United States).
IdentificationNot applicable.
Not applicable.
Special Provisions for
Transport
DOT (Pictograms)
Alprazolam
Section 15. Other Regulatory Information and Pictograms
California prop. 65: This product contains the following ingredients for which the State of California has found to
Federal and State
cause cancer, birth defects or other reproductive harm, which would require a warning under the statute:
Regulations
Alprazolam
California prop. 65: This product contains the following ingredients for which the State of California has found to
cause birth defects which would require a warning under the statute: Alprazolam
California
California prop. 65: This product contains the following ingredients for which the State of California has found
Proposition 65
to cause birth defects which would require a warning under the statute: Alprazolam
Warnings
Other RegulationsNot available.
WHMIS (Canada) Not controlled under WHMIS (Canada).
Other Classifications
DSCL (EEC)R22- Harmful if swallowed.
Health Hazard
HMIS (U.S.A.)2 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
2 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
E
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Lab coat.
Dust respirator. Be sure to use an
approved/certified respirator or
equivalent.
Safety glasses.
SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积43.1

7.重原子数量:22

8.表面电荷:0

9.复杂度:434

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1