6952-59-6 (间溴苯腈,3-Bromobenzonitrile)

CAS号:
6952-59-6
中文名称:
间溴苯腈
英文名称:
3-Bromobenzonitrile
安全信息:
分子式:
C7H4BrN
分子量:
182.017360687256
简介:
间溴苯腈是一种化学物质,分子式是C7H4BrN。

间溴苯腈(6952-59-6)名称与标识符

名称

中文别名:
间溴苯腈;间溴苯甲腈;3-溴苯腈;3-溴苯甲腈;3-Bromobenzonitrile 3-溴苯甲腈;3-溴苄腈;4-三氟甲基苯腈;间溴苯腈及合成技术;
英文别名:
3-Bromobenzonitrile;m-Bromobenzonitrile;1-Bromo-3-cyanobenzene;Benzonitrile, 3-bromo-;Benzonitrile, m-bromo-;MBBN;AKOS B004047;3-Cyanobromobenzene;m-bromo-benzonitril;m-Bromobenzonitride;Benzonitrile,3-bromo;Benzonitrile,m-bromo;EINECS 230-127-9;3-bromobenzenecarbonitrile;3-BROMOBENZONITRIDE;STXAVEHFKAXGOX-UHFFFAOYSA-N;3-bromo benzonitrile;m-Brombenzonitril;3-brombenzonitrile;3-Bromobenzonitril;NSC59731;3-bromo-benzonitrile;3-bromobenzo-nitrile;3-bromobenzenenitrile;3-cyanophenyl bromide;PubChem1584;6952-59-6;NSC-59731;9M38AQC7J8;EN300-36789;AC-26108;AM20061149;CS-W003968;W-104619;InChI=1/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4;3-Bromobenzonitrile, 99%;MFCD00001796;PS-3402;1-Bromo-3-cyanobenzene;Benzonitrile, 3-bromo-;Benzonitrile, m-bromo-;CK2134;B1227;SCHEMBL99039;NS00036874;NSC 59731;Z57899727;FT-0615206;AKOS000304418;A21014;DTXSID00219771;3-Bromobenzonitrile,98%;DTXCID50142262;1Bromo3cyanobenzene;mBromobenzonitrile;SY001539;Benzonitrile, mbromo;DB-014257;Benzonitrile, 3bromo (9CI);Benzonitrile, 3-bromo-(9CI);Benzonitrile, 3bromo;STL168035;CHEMBL5268822;

标识符

MDL:
MFCD00001796
InChIKey:
STXAVEHFKAXGOX-UHFFFAOYSA-N
Inchi:
1S/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H
SMILES:
BrC1=CC=CC(C#N)=C1
BRN:
1858942

间溴苯腈(6952-59-6)物化性质

实验特性

  • LogP : 2.32078
  • PSA : 23.79000
  • 折射率 : 1.5999 (estimate)
  • 水溶性 : Soluble in water (0.2 g/L)
  • 沸点 : 225°C(lit.)
  • 熔点 : 38.0 to 41.0 deg-C
  • 闪点 : 华氏:235.4 °F
    摄氏:113 °C
  • 溶解度 : 0.2g/l
  • 颜色与性状 : 不可用
  • 溶解性 : 不可用
  • 密度 : 1.562

计算特性

  • 精确分子量 : 180.95300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 0
  • 同位素质量 : 180.952712
  • 重原子数量 : 9
  • 复杂度 : 135
  • 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) : 1.8
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 23.8

间溴苯腈(6952-59-6)国际标准相关数据

EINECS:
59731

间溴苯腈(6952-59-6)海关数据

海关编码:
29269095
海关数据:

中国海关编码:

2926909090

概述:

2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

间溴苯腈(6952-59-6)推荐厂家 更多厂家(71)

间溴苯腈(6952-59-6)相关文献

间溴苯腈(6952-59-6)参考资料

Reaxys RN:
1858942
Beilstein:
9,350
PubChem CID:

间溴苯腈(6952-59-6) MSDS

基础信息

Name:3-Bromobenzonitrile 99% Material Safety Data Sheet
Synonym:m-Bromobenzonitrile
CAS:6952-59-6
Section 1 - Chemical Product ? MSDS Name:3-Bromobenzonitrile 99% Material Safety Data Sheet
Synonym:m-Bromobenzonitrile

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
6952-59-63-Bromobenzonitrile99230-127-9
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. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause cardiac disturbances. May cause central nervous system depression.
Inhalation:
Causes respiratory tract irritation. May cause cardiac abnormalities. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Containers may explode when heated. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, or water spray.
For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray. Cool containers with flooding quantities of water until well after fire is out.

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 6952-59-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Powder and chunks
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 225 deg C @ 760 mmHg
Freezing/Melting Point: 38 - 40 deg C
Autoignition Temperature: Not applicable.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C7H4BrN
Molecular Weight: 182.02

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents, strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 6952-59-6: DI2459500 LD50/LC50:
Not available.
Carcinogenicity:
3-Bromobenzonitrile - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: Nitriles, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: Nitriles, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
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# 6952-59-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6952-59-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6952-59-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A