1,3-Benzodioxole

物化性质

外观与性状：

透明无色至淡黄色液体

密度：

1.213±0.06 g/cm3

熔点：

-18 °C

沸点：

173.0±15.0 °C

闪点：

55.0±0.0 °C

水溶解性：

Slightly Soluble (1.6 g/L)

折射率：

n20/D 1.539(lit.)

蒸汽压：

5.374mmHg at 25°C

蒸汽密度：

1.73 Torr

存储条件/存储方法：

本品应密封保存

稳定性相关：

1. 存在于烟气中。

其它信息：

1. 性状：无色液体，有机合成。

2. 密度（g/mL,25/4℃）：1.064g/mL at 25 ° C

安全信息

外观与性状：

透明无色至淡黄色液体

密度：

1.213±0.06 g/cm3

熔点：

-18 °C

沸点：

173.0±15.0 °C

闪点：

55.0±0.0 °C

水溶解性：

Slightly Soluble (1.6 g/L)

折射率：

n20/D 1.539(lit.)

蒸汽压：

5.374mmHg at 25°C

蒸汽密度：

1.73 Torr

存储条件/存储方法：

本品应密封保存

稳定性相关：

1. 存在于烟气中。

其它信息：

1. 性状：无色液体，有机合成。

2. 密度（g/mL,25/4℃）：1.064g/mL at 25 ° C

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DA5600000

CHEMICAL NAME :

Benzene, 1,2-methylenedioxy-

CAS REGISTRY NUMBER :

274-09-9

BEILSTEIN REFERENCE NO. :

0115506

LAST UPDATED :

199803

DATA ITEMS CITED :

4

MOLECULAR FORMULA :

C7-H6-O2

MOLECULAR WEIGHT :

122.13

WISWESSER LINE NOTATION :

T56 BO DO CHJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

580 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - excitement

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,18,1965

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1220 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - coma Skin and Appendages - hair

REFERENCE :

FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

15 gm/kg/60D-I

TOXIC EFFECTS :

Related to Chronic Data - death

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 7,18,1965

MSDS

Name:	]1,3-Benzodioxole, 99% Material Safety Data Sheet
Synonym:	1,2-(Methylenedioxy)benzene; 1,3-Dioxaindane
CAS:	274-09-9

Section 1 - Chemical ProductMSDS Name: ]1,3-Benzodioxole, 99% Material Safety Data Sheet
Synonym: 1,2-(Methylenedioxy)benzene; 1,3-Dioxaindane SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
274-09-9	1,3-Benzodioxole	99.0	205-992-0

Hazard Symbols: XN
Risk Phrases: 10 22 SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Flammable. Harmful if swallowed. Potential Health Effects
Eye:
May cause chemical conjunctivitis and corneal damage.
Skin:
May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Ingestion of large amounts may cause CNS depression.
Inhalation:
Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause burning sensation in the chest.
Chronic:
No information found. SECTION 4 - FIRST AID MEASURES
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors may form an explosive mixture with air. Vapors can travel to a source of ignition and flash back. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Use agent most appropriate to extinguish fire. Do NOT use straight streams of water. SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. A vapor suppressing foam may be used to reduce vapors. SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 274-09-9: Personal Protective Equipment
Eyes:
Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions. SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Liquid
Color: clear slightly yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: 12 mmHg @ 25 C
Viscosity: Not available.
Boiling Point: 172.0 - 173.0 deg C @ 760.00m
Freezing/Melting Point: -18.00 - -0.00 deg C
Autoignition Temperature: Not available.
Flash Point: 55 deg C ( 131.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: 0.2% (25 c)
Specific Gravity/Density: 1.0640g/cm3
Molecular Formula: C7H6O2
Molecular Weight: 122.12 SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported. SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 274-09-9: DA5600000
LD50/LC50:
CAS# 274-09-9: Oral, mouse: LD50 = 1220 mg/kg; Oral, rat: LD50 = 580 mg/kg.
Carcinogenicity:
1,3-Benzodioxole - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information. SECTION 12 - ECOLOGICAL INFORMATION Other No information available. SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. SECTION 14 - TRANSPORT INFORMATION IATA
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing Group: III IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: III SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 10 Flammable. R 22 Harmful if swallowed.
Safety Phrases:
S 9 Keep container in a well-ventilated place. S 16 Keep away from sources of ignition - No smoking. S 33 Take precautionary measures against static discharges. WGK (Water Danger/Protection) CAS# 274-09-9: No information available. Canada CAS# 274-09-9 is listed on Canada's NDSL List. CAS# 274-09-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 274-09-9 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #4 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.
SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：32.41

2、 摩尔体积（cm³/mol）：100.6

3、 等张比容（90.2K）：262.6

4、 表面张力（dyne/cm）：46.4

5、 极化率：12.84

6、 介电常数：未确定

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:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积18.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:91.1

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