1,4-Pentanediamine,N4-(6-chloro-2-methoxy-9-acridinyl)-N1,N1-diethyl-, hydrochloride, hydrate(1:2:2)

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

AR7876000

CHEMICAL NAME :

Acridine, 6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2- methoxy-, dihydrochloride, dihydrate

CAS REGISTRY NUMBER :

6151-30-0

LAST UPDATED :

199112

DATA ITEMS CITED :

2

MOLECULAR FORMULA :

C23-H30-Cl-N3-O.2Cl-H.2H2-O

MOLECULAR WEIGHT :

507.96

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

37 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 44,225,1978 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intratesticular

DOSE :

4 mg/kg

SEX/DURATION :

male 1 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :

CCPTAY Contraception. (Geron-X, Inc., POB 1108, Los Altos, CA 94022) V.1- 1970- Volume(issue)/page/year: 6,329,1972

毒理学数据：

1、急性毒性：小鼠经静脉LDLo：37mg/kg；

2、生殖毒性

大鼠经睾丸TDLo：4mg/kg；

生态数据：

对水是极其危害的，即使是小量，对水体中的鱼和浮游生物是有毒害的。

若无政府许可，勿将材料排入周围环境。

MSDS

Section 1. Chemical Product and Company Identification
Quinacrine hydrochloride dihydrateCatalog
Common Name/
Number(s).
Trade Name
CAS#6151-30-0
Manufacturer
RTECSAR7876000
SPECTRUM CHEMICAL MFG. CORP.
TSCATSCA 8(b) inventory:
Quinacrine hydrochloride
dihydrate
Commercial Name(s)Not available.
CI#Not available.
Synonym6-Chloro-9=[[44-(diethylamino-1-methylbutyl]amino]-2-methoxyacridine
IN CASE OF EMERGENCY
hydrochloride
Chemical NameNot available.
Not available.CALL (310) 516-8000
Chemical Family
Chemical FormulaC23H30ClN3O.2HCl.2H2O
SPECTRUM CHEMICAL MFG. CORP.
Section 2.Composition and Information on Ingredients
Exposure Limits
TWA (mg/m3)STEL (mg/m3) CEIL (mg/m3)
NameCAS #% by Weight
1) Quinacrine hydrochloride dihydrate6151-30-0100
Toxicological DataQuinacrine hydrochloride dihydrate:
on IngredientsORAL (LD50):Acute: 660 mg/kg [Rat]. 433 mg/kg [Rabbit].
Section 3. Hazards Identification
Potential Acute Health Effects Very hazardous in case of ingestion. Hazardous in case of skin contact (irritant), of eye contact (irritant), of
inhalation. Slightly hazardous in case of skin contact (permeator).
Potential Chronic HealthCARCINOGENIC EFFECTS: Not available.
EffectsMUTAGENIC EFFECTS: Not available.
TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: PROVEN
The substance is toxic to blood, the nervous system, the reproductive system, liver, heart.
Repeated or prolonged exposure to the substance can produce target organs damage.
Quinacrine hydrochloride dihydrate
Section 4. First Aid Measures
Eye ContactCheck for and remove any contact lenses. Immediately flush eyes with running water for at least 15 minutes,
keeping eyelids open. Cold water may be used. Do not use an eye ointment. Seek medical attention.
Skin ContactAfter contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin
with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin.
Cold water may be used. Cover the irritated skin with an emollient. If irritation persists, seek medical attention.
Wash contaminated clothing before reusing.
Serious Skin ContactWash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek immediate
medical attention.
InhalationAllow the victim to rest in a well ventilated area. Seek immediate medical attention.
Serious InhalationNot available.
IngestionDo not induce vomiting. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible
indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Loosen
tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Seek immediate medical attention.
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.
of Various SubstancesRisks of explosion of the product in presence of static discharge: Not available.
Fire Fighting MediaSMALL FIRE: Use DRY chemical powder.
and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet.
Special Remarks onNot available.
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.
Quinacrine hydrochloride dihydrate
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 In case of insufficient ventilation, wear suitable respiratory equipment If
ingested, seek medical advice immediately and show the container or the label. Avoid contact with skin and eyes
StorageKeep container dry. Keep in a cool place. Ground all equipment containing material. Keep container tightly
closed. Keep in a cool, well-ventilated place. Combustible materials should be stored away from extreme heat
and away from strong oxidizing agents.
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 ProtectionSplash goggles. 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.
TasteNot available.
508.91 g/mole
Molecular Weight
ColorYellow.
pH (1% soln/water)Not available.
Boiling PointNot available.
Melting PointDecomposes.
Critical TemperatureNot available.
Specific GravityNot available.
Not applicable.
Vapor Pressure
Vapor DensityNot available.
VolatilityNot available.
Odor ThresholdNot available.
Water/Oil Dist. Coeff.Not available.
Not available.
Ionicity (in Water)
Dispersion PropertiesSee solubility in water.
Soluble in cold water.
Solubility
Section 10. Stability and Reactivity Data
The product is stable.
Stability
Instability TemperatureNot available.
Not available.
Conditions of Instability
Incompatibility with various Not available.
substances
Quinacrine hydrochloride dihydrate
CorrosivityNon-corrosive in presence of glass.
Special Remarks onNot available.
Reactivity
Special Remarks onNot available.
Corrosivity
PolymerizationNo.
Section 11. Toxicological Information
Routes of EntryEye contact. Inhalation. Ingestion.
Toxicity to AnimalsAcute oral toxicity (LD50): 433 mg/kg [Rabbit].
Chronic Effects on HumansDEVELOPMENTAL TOXICITY: PROVEN
The substance is toxic to blood, the nervous system, the reproductive system, liver, heart.
Other Toxic Effects onVery hazardous in case of ingestion.
HumansHazardous in case of skin contact (irritant), of inhalation.
Slightly hazardous in case of skin contact (permeator).
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
Not available.
BOD5 and COD
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
Not available.
Special Remarks on the
Products of Biodegradation
Section 13. Disposal Considerations
Waste Disposal
Section 14. Transport Information
DOT ClassificationNot a DOT controlled material (United States).
Not applicable.
Identification
Special Provisions forNot applicable.
Transport
Quinacrine hydrochloride dihydrate
DOT (Pictograms)
Section 15. Other Regulatory Information and Pictograms
TSCA 8(b) inventory: Quinacrine hydrochloride dihydrate
Federal and State
Regulations
California
Proposition 65
Warnings
Other RegulationsOSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).
CLASS D-1B: Material causing immediate and serious toxic effects (TOXIC).
Other ClassificationsWHMIS (Canada)
CLASS D-2A: Material causing other toxic effects (VERY TOXIC).
DSCL (EEC)R36/38- Irritating to eyes and skin.
R48/22- Harmful: danger of serious
damage to health by prolonged
exposure 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.
Quinacrine hydrochloride dihydrate
Dust respirator. Be sure to use an
approved/certified respirator or
equivalent. Wear appropriate respirator
when ventilation is inadequate.
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）：6.2

2、 氢键供体数量：3

3、 氢键受体数量：2

4、 可旋转化学键数量：9

5、 互变异构体数量：2

6、 拓扑分子极性表面积（TPSA）：39.8

7、 重原子数量：28

8、 表面电荷：2

9、 复杂度：461

10、 同位素原子数量：0

11、 确定原子立构中心数量：1

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