CAS 401-78-5 MFCD00000380-3-Bromobenzotrifluoride 3-溴三氟甲苯 TAO{mole}

3-Bromobenzotrifluoride 3-溴三氟甲苯

CAS 401-78-5 MFCD00000380

化学结构图

SMILES: FC(F)(F)c1cccc(Br)c1

化学属性

Mol. Formula	C7H4BrF3
Mol. Weight	225.01
Density	1.613
Refractive index	1.4710 to 1.4750
Boiling Point	151.5°C at 760 mmHg
Flash Point	43°C
TSCA	Yes
Appearance	无色透明液体。熔点1℃，沸点153.5℃，44-48℃（1.33kPa），闪点43℃，相对密度1.623，折射率1.4347。不溶于水，溶于乙醇、乙醚。
Melting Point	1°C

别名和识别编码

Chemical Name	3-Bromobenzotrifluoride
CAS Number	401-78-5
Alfabeta Name	BROMOBENZOTRIFLUORIDE 3-
MDL Number	MFCD00000380
Synonym	1-Bromo-3-(trifluoromethyl)benzene {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {} {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {} {} {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromo-3-(trifluoromethyl)benzene {} {} {} {} {} {}
EC Number	206-932-6
Beilstein Registry Number	1449557
PubChem Substance ID	9817
Reaxys-RN	1449557
Chemical Name Translation	3-溴三氟甲苯
Wiswesser Line Notation	FXFFR CE
InChIKey	NNMBNYHMJRJUBC-UHFFFAOYSA-N
LabNetwork Molecule ID	LN00008515
InChI	InChI=1S/C7H4BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H
Canonical SMILES	FC(C1=CC(Br)=CC=C1)(F)F

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安全信息

Warnings IRRITANT

Signal word

GHS Symbol

WGK Germany3

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S37 Wear suitable gloves 戴适当手套；
S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R10 Flammable 易燃

Precautionary statements

P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P501 Dispose of contents/container to..… 处理内容物/容器.....
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P305+P351+P338+P337+P313
P303+P361+P353
P233 Keep container tightly closed. ?保持容器密闭。
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P241+P242+P243

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气
H319 Causes serious eye irritation 严重刺激眼睛

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSXS7970000

Packing GroupIII

UN Number

Hazard Codes

Hazard Class3

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light Flammables area {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, pr

其他信息

海关编码:29036990
方法一:1.三氟甲基苯直接溴化法该方法收率为80%。原料消耗定额：三氟甲基苯（≥98%）686kg/t、溴素1142kg/t、铁粉200kg/t。2.由间氨基三氟甲苯重氮化、置换而得。搅拌下将间氨基三氟甲苯慢慢加入氢溴酸中，温度不超过50℃。冷却，加入亚硝酸钠溶液，温度控制在10℃以下，至重氮化结束。将重氮液加入煮沸的溴化亚铜和氢溴酸溶液内，并开始水蒸气蒸馏，将有机物随水蒸气蒸出。馏出液分层，取有机层，加浓硫酸洗涤，再用水、稀碱液洗涤，水洗涤至中性。油层用无水氯化钙脱水，过滤，减压蒸馏，收集73-74.5℃（6.0kPa）馏分，得间溴三氟甲苯。
储运特性:库房通风低温干燥
用途一:用作医药、农药中间体
可燃性危险特性:热分解排出有毒溴化物和氯化物烟雾
Acros Organics:3-溴三氟甲苯 3-Bromobenzotrifluoride, 99%(401-78-5)
上游原料:溴 --> 溴化亚铜 --> 三氟甲苯 --> 间氨基三氟甲苯
图谱信息:间溴三氟甲苯(401-78-5)核磁图( 1 HNMR) 间溴三氟甲苯(401-78-5)红外图谱(IR1) 间溴三氟甲苯(401-78-5)核磁图( 13 CNMR) 间溴三氟甲苯(401-78-5)Raman光谱间溴三氟甲苯(401-78-5)质谱(MS)
刺激数据:皮肤-兔 500 毫克/24小时轻度; 眼睛-兔 500 毫克/24小时中度
Sigma Aldrich:401-78-5(sigmaaldrich)
Alfa Aesar:3-溴三氟甲苯,98+% 3-Bromobenzotrifluoride, 98+%(401-78-5)
灭火剂:水,干粉、干砂、二氧化碳、泡沫、1211灭火剂
下游产品:氟苯丙胺 --> 4-(3-三氟甲基)苯基-4-哌啶醇
TCI Shanghai:3-溴三氟甲苯 3-Bromobenzotrifluoride,>;99.0%(GC)(401-78-5)
MOL 文件:401-78-5.mol
Hazard Note:Flammable
类别:有毒物品
间溴三氟甲苯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 B0664 3-溴三氟甲苯 3-Bromobenzotrifluoride 25G 240元 2014/06/02 B0664 3-溴三氟甲苯 3-Bromobenzotrifluoride 250G 1120元 2010/06/21 106740500 间溴三氟甲苯 3-Bromobenzotrifluoride 99% 50 ML 575元
MSDS 信息:m-Bromotrifluorotoluene(401-78-5).msds
用途二:主要用于生产农药、医药，如合成减肥药物芬氟拉明等。