174092-82-1 (2,3-二溴丙醇,2,3-Dihydro-6-isocyano-1,4-benzodioxine)

CAS号:
174092-82-1
中文名称:
2,3-二溴丙醇
英文名称:
2,3-Dihydro-6-isocyano-1,4-benzodioxine
分子式:
C9H7NO2
分子量:
161.157382249832

2,3-二溴丙醇(174092-82-1)名称与标识符

名称

中文别名:
1-(4-溴苯基)-N-甲基甲磺酰胺;2,3-二氢-6-异氰基-1,4-苯并二噁英e;6-异氰-2,3-二氢-苯并[1,4]二恶英;6-异氰-4-氧杂色烷;2,3-二溴丙醇;
英文别名:
1,4-Benzodioxin,2,3-dihydro-6-isocyano-;2,3-DIHYDRO-6-ISOCYANO-1,4-BENZODIOXINE;6-isocyano-2,3-dihydro-1,4-benzodioxine;2,3-DIBROMOPROPANOL;2,3-Dihydro-6-Isocyano-1,4-Benzodioxin;6-Isocyano-4-oxachromane;6-ISOCYANO-2,3-DIHYDRO-BENZO[1,4]DIOXINE;2,3-Dihydro-6-isocyano-1,4-benzodioxine,95%;2,3-Dihydro-6-isocyano-1,4-benzodioxine, 95% 1GR;6-isocyano-2,3-dihydro-1,4-benzodioxin;6-isocyano-2,3-dihydrobenzo[b][1,4]dioxine;6-isocyano-2,3-dihydro-benzo[b][1,4]dioxine;AKOS015910627;FT-0692886;AAUQOWLQNFIDQL-UHFFFAOYSA-N;6-Isocyano-2,3-dihydro-1,4-benzodioxine, AldrichCPR;GS-0349;SCHEMBL2249484;A811614;174092-82-1;DTXSID60370514;6-isocyano-2,3-dihydrobenzo[b]-[1,4]dioxine;EN300-1177108;MFCD06200565;G29788;

标识符

MDL:
MFCD06200565
InChIKey:
AAUQOWLQNFIDQL-UHFFFAOYSA-N
Inchi:
1S/C9H7NO2/c1-10-7-2-3-8-9(6-7)12-5-4-11-8/h2-3,6H,4-5H2
SMILES:
O1C2C=C(C=CC=2OCC1)[N+]#[C-]

2,3-二溴丙醇(174092-82-1)物化性质

实验特性

  • LogP : 1.23930
  • PSA : 18.46000
  • 熔点 : 81-87 °C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用

计算特性

  • 精确分子量 : 161.04800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 161.048
  • 重原子数量 : 12
  • 复杂度 : 208
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 22.8A^2

2,3-二溴丙醇(174092-82-1)安全信息

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2,3-二溴丙醇(174092-82-1) MSDS

基础信息

Name:2 3-Dihydro-6-isocyano-1 4-benzodioxine 95% Material Safety Data Sheet
Synonym:6-Isocyano-4-oxachroman
CAS:174092-82-1
Section 1 - Chemical Product ? MSDS Name:2 3-Dihydro-6-isocyano-1 4-benzodioxine 95% Material Safety Data Sheet
Synonym:6-Isocyano-4-oxachroman

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
174092-82-12,3-Dihydro-6-isocyano-1,4-benzodioxin95%unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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. Will burn if involved in a fire.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 174092-82-1: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: yellow to brown
Odor: unpleasant odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 81 - 87 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C9H7NO2
Molecular Weight: 161.16

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 174092-82-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dihydro-6-isocyano-1,4-benzodioxine - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 174092-82-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 174092-82-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 174092-82-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A