401-78-5 (间溴三氟甲苯,3-Bromobenzotrifluoride)

CAS号:
401-78-5
中文名称:
间溴三氟甲苯
英文名称:
3-Bromobenzotrifluoride
安全信息:
分子式:
C7H4BrF3
分子量:
225.005871772766

间溴三氟甲苯(401-78-5)名称与标识符

名称

中文别名:
间溴三氟甲苯;3-溴三氟甲苯;间三氟甲基溴苯;间溴三氟甲基苯;3-溴三氟甲基苯;1-溴-3-(三氟甲基)苯;3-溴三氟化苯;3-Bromobenzotrifluoride 3-溴三氟甲苯;间溴三氟***;3-溴-α,α,α-三氟甲苯;
英文别名:
1-BROMO-3-(TRIFLUOROMETHYL)BENZENE;3-BROMO-1-TRIFLUOROMETHYLBENZENE;3-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE;3-BROMOBENZOTRIFLUORIDE;3-BROMOTRIFLUOROTOLUENE;3-TRIFLUOROMETHYL PHENYL BROMIDE;M-BROMO-A,A,A-TRIFLUOROTOLUENE;M-BROMO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE;M-BROMOBENZOTRIFLUORIDE;M-BROMOTRIFLUOROTOLUENE;1-bromo-3-(trifluoromethyl)-benzen;3-(Trifluoromethyl)bromobenzene;3-Brombenzotrifluorid;3-Bromobenzonitrifluoride;3-Bromobenzyltrifluoride;3-Bromotrifluoromethylbenzene;alpha,alpha,alpha-trifluoro-3-bromo-toluen;m-(Trifluoromethyl)bromobenzene;m-(Trifluoromethyl)phenyl bromide;1-bromo-3-trifluoromethylbenzene;3-Benzotrifluoride;3-brombenzotrifluoride;3-Bromobenzofluride;3-Bromobenzotrifluor;3-Bromo-α,α,α-trifluorotoluene;meta-bromo-trifluoromethyl benzene;m-trifluoromethylphenyl bromide;Benzene, 1-bromo-3-(trifluoromethyl)-;3-(Trifluoromethyl)phenyl bromide;m-Bromo(trifluoromethyl)benzene;M-BROMOTRI;3-Bromobenzotrifluoride,99%;FT-0615207;EINECS 206-932-6;Toluene, m-bromo-.alpha.,.alpha.,.alpha.-trifluoro-;3-bromo-trifluoromethylbenzene;Toluene, alpha,alpha,alpha-trifluoro-3-bromo-;B0664;WLN: FXFFR CE;MFCD00000380;NSC9468;3-(trifluoromethyl)-bromobenzene;m-Trifluoromethylbromobenzene;3-bromo-benzotrifluoride;m-Bromo-.alpha.,.alpha.,.alpha.-trifluorotoluene;W-106384;SCHEMBL4661;3-bromo-I+/-,I+/-,I+/--trifluorotoluene;NSC-9468;3-Bromo-5-trifluoromethylbenzene;Toluene,.alpha.,.alpha.-trifluoro-3-bromo-;DTXSID1059947;401-78-5;InChI=1/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4;EN300-21162;3-bromo benzotrifluoride;3-bromo-1-(trifluoromethyl)benzene;BRN 1449557;3-trifluoromethylphenyl bromide;AC-1780;3-trifluoromethyl-1-bromobenzene;3-Trifluoromethylbromobenzene;9A2GF99MK4;TOLUENE, m-BROMO-alpha,alpha,alpha-TRIFLUORO-;1-Bromo-3-trifluoromethyl-benzene;AKOS000121505;CS-W019942;1-Bromo-3-(trifluoromethyl)benzene; 3-Bromo-1-trifluoromethylbenzene;M-Bromobenzotrifluoride;m-Bromobenzotrifluoride;2-bromo-4-trifluoromethylbenzene;Toluene, .alpha.,.alpha.,.alpha.-trifluoro-3-bromo-;3-Bromobenzotrifluoride, 99%;A924484;meta-bromobenzotrifluoride;m-Bromo-.alpha.,.alpha.-trifluorotoluene;NS00043142;m-bromotrifluoromethylbenzene;F0001-1129;3-trifluoromethyl-bromobenzene;NSC 9468;AM61955;3-Brombenzotrifluorid [Czech];1-Bromo-3-(trifluoromethyl)benzene, 3-Bromo-alpha,alpha,alpha-trifluorotoluene;m-Bromotrifluorotoluene; m-Bromobenzotrifluoride;FB64582;DTXCID6039714;

标识符

MDL:
MFCD00000380
InChIKey:
NNMBNYHMJRJUBC-UHFFFAOYSA-N
Inchi:
1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
SMILES:
BrC1=CC=CC(C(F)(F)F)=C1
BRN:
1449557

间溴三氟甲苯(401-78-5)物化性质

实验特性

  • LogP : 3.46790
  • PSA : 0.00000
  • 折射率 : n20/D 1.473(lit.)
  • 沸点 : 155°C
  • 熔点 : 1°C
  • 闪点 : 华氏:109.4 °F
    摄氏:43 °C
  • 颜色与性状 : 无色透明液体
  • 溶解性 : 不溶于水,溶于乙醇、乙醚。
  • 密度 : 1.613 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 223.94500
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 223.945
  • 重原子数量 : 11
  • 复杂度 : 132
  • 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) : 4
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 0

间溴三氟甲苯(401-78-5)安全信息

间溴三氟甲苯(401-78-5)国际标准相关数据

EINECS:
206-932-6

间溴三氟甲苯(401-78-5)海关数据

海关编码:
29036990
海关数据:

中国海关编码:

2903999090

概述:

2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

间溴三氟甲苯(401-78-5)生产方法和用途

用途:
用于有机合成。主要用于生产农药、医药,如合成减肥药物芬氟拉明等。

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间溴三氟甲苯(401-78-5)相关文献

间溴三氟甲苯(401-78-5)参考资料

Reaxys RN:
1449557
Beilstein:
1449557
PubChem CID:

间溴三氟甲苯(401-78-5) MSDS

基础信息

Name:3-Bromobenzotrifluoride 99% Material Safety Data Sheet
Synonym:m-Bromobenzotrifluoride; Benzene, 1-bromo-3-(trifluoromethyl)
CAS:401-78-5
Section 1 - Chemical Product ? MSDS Name:3-Bromobenzotrifluoride 99% Material Safety Data Sheet
Synonym:m-Bromobenzotrifluoride; Benzene, 1-bromo-3-(trifluoromethyl)

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
401-78-53-Bromobenzotrifluoride99206-932-6
Hazard Symbols: XI
Risk Phrases: 10 36/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Flammable. Irritating to eyes and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin irritation. 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:
May cause respiratory tract irritation. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. Can produce delayed pulmonary edema. May cause burning sensation in the chest.
Chronic:
Prolonged or repeated skin contact may cause dermatitis. 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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
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 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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. 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.
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. 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. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

Section 7 - HANDLING and STORAGE
? Handling:
Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. 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 tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Flammables-area.

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 explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 401-78-5: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides 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:
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Liquid
Color: clear slightly yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 151 - 152 deg C @ 760.00 mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 43 deg C ( 109.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.6130 g/cm3
Molecular Formula: C7H4BrF3
Molecular Weight: 225.01

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
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, hydrogen fluoride gas, hydrogen bromide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 401-78-5: XS7970000 LD50/LC50:
CAS# 401-78-5: Draize test, rabbit, eye: 500 mg/24H Mild; Draize test, rabbit, skin: 500 mg/24H Mild.
Carcinogenicity:
3-Bromobenzotrifluoride - 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: 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: XI
Risk Phrases:
R 10 Flammable.
R 36/38 Irritating to eyes and skin.
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# 401-78-5: No information available.
Canada
CAS# 401-78-5 is listed on Canada's NDSL List.
CAS# 401-78-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 401-78-5 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A