3-Bromotoluene 3-溴甲基苯

CAS 591-17-3 MFCD00000085

化学结构图

591-17-3
SMILES: Cc1cccc(Br)c1

化学属性

Mol. FormulaC7H7Br
Mol. Weight171.04
Refractive index1.5520 to 1.5540
Density1.41 g/mL at 25 °C(lit.)
Boiling Point183.7 °C(lit.)
Melting Point-40 °C (lit.)
Flash Point60°C
TSCAYes
Solubility不溶于水，溶于乙醇、醚、苯。
Stability对光线敏感

别名和识别编码

Chemical Name3-Bromotoluene
CAS Number591-17-3
MDL NumberMFCD00000085
Reaxys-RN1903633
Beilstein Registry Number5,305
PubChem Substance ID11560
EC Number209-702-3
Alfabeta NameBROMOTOLUENE 3-
Synonym 3-Bromotoluene {LY} 3-Bromotoluene 3-Bromtoluol 3-Methyl-1-bromobenzene 3-Methyl-bromobenzene 3-Methylbromobenzene 3-Methylphenyl bromide 3-Methylphenylbromide 3-Tolyl bromide 3-Tolylbromide 3-bromo-toluen 3-bromotoluene 3-methylbromobenzene 3-溴-1-甲基苯 3-甲(基)溴苯 3-甲溴苯 m-Bromtoluol m-bromotoluene m-tolyl bromide Benzene,1-bromo-3-methyl- M-TOLYL BROMIDE m-Bromotoluene m-Methylbromobenzene {} {LY} 3-Bromotoluene {} {} {LY} 3-Bromotoluene {} {} {} {LY} 3-Bromotoluene {} {} {} {} {LY} 3-Bromotoluene {} {} {} {} {} {LY} 3-Bromotoluene {} {} {} {} {} {} {LY} 3-Bromotoluene {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 3-Bromotoluene {} {} {} {} {} {} {}
Merck Number14,1439
Chemical Name Translation3-溴甲基苯
Wiswesser Line NotationER C1
LabNetwork Molecule IDLN00173800
InChIInChI=1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
Canonical SMILESCC1=CC(Br)=CC=C1
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分类

  • {SNA} Aryl, Building Blocks, C7, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • Aryl, Building Blocks, C7, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks

产品应用

  • 有机合成。溶剂。

相关文献及参考

  • Merck:14,1439 Beilstein:5,305
  • Short: II/27B
  • Merck:14,1439
  • Short: II/3

安全信息

RTECSXS7965400
UN Number 1993 UN 1993 3/PG 3 1992
Signal word Warning {} {} {} {} {} {TCI}
Precautionary statements
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P332+P313
  • P301+P312+P330
  • P337+P313
  • 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
  • P302+P352+P332+P313+P362+P364
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P303+P361+P353
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
GHS Symbol
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
WGK Germany3
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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
  • R22 Harmful if swallowed 吞咽有害
Hazard Codes Xn Xn,Xi
Warnings 危化品目录(2015) IRRITANT
Packing GroupIII
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class3 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1215 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 44(12),19,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1436 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 44(12),19,1979

Restrict 危险品

其他信息

  • Sigma Aldrich:591-17-3(sigmaaldrich)
  • 毒性分级:中毒
  • 图谱信息:3-溴甲基苯(591-17-3)核磁图( 1 HNMR) 3-溴甲基苯(591-17-3)质谱(MS) 3-溴甲基苯(591-17-3)Raman光谱 3-溴甲基苯(591-17-3)红外图谱(IR1) 3-溴甲基苯(591-17-3)红外图谱(IR2) 3-溴甲基苯(591-17-3)核磁图( 13 CNMR)
  • 用途一:用作有机合成原料及中间体，也用于医药工业
  • Hazard Note:Harmful/Irritant
  • Acros Organics:间溴甲苯 3-Bromotoluene, 99%(591-17-3)
  • 储运特性:库房通风低温干燥; 与氧化剂、食品原料分开储运
  • Alfa Aesar:3-溴甲苯,99% 3-Bromotoluene, 99%(591-17-3)
  • 可燃性危险特性:明火可燃; 受热分解有毒溴化物气体
  • MSDS 信息:间甲基溴苯(591-17-3).msds
  • 用途二:用于有机合成，溶剂。
  • 3-溴甲基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0660 3-溴甲苯 3-Bromotoluene 500G 4550元 2014/06/02 B0660 3-溴甲苯 3-Bromotoluene 25G 475元 2010/06/21 173411000 3-溴甲基苯 3-Bromotoluene 99% 100 ML 2061元
  • 海关编码:29036990
  • MOL 文件:591-17-3.mol
  • 类别:有毒物品
  • TCI Shanghai:3-溴甲苯 3-Bromotoluene,>;98.0%(GC)(591-17-3)
  • 下游产品:三间基苯基膦 --> 3-二甲胺酰苯硼酸 --> 3-(乙基(甲基)氨甲酰基)苯基硼酸 --> 3-溴苯甲酸
  • 方法一:由3-溴-4-氨基甲苯经重氮化、还原而得。将95%乙醇、浓硫酸、3-溴-4-氨基甲苯的混合物搅拌冷却到10℃，加入亚硝酸钠溶液，保持反应温度不超过10℃。加完后，继续搅拌20min。加入用乙醚洗涤过的铜粉，小心加热，反应开始后停止加热，将剧烈放出氮气，生成乙醛，反应缓和时再适当加热使反应完全。然后进行水蒸气蒸馏，直至无油状物蒸出为止。从馏液中分出有机相，依次用10%氢氧化钠、水、浓硫酸、5%碳酸钠溶液洗涤。用无水氯化钙干燥，过滤，蒸馏，收集180-183℃（99.75kPa）馏分，得无色纯品，产率50%以上。
  • 上游原料:乙醇 --> 铜 --> 2-溴-4-甲基苯胺
  • 溶于乙醇、乙醚和苯，不溶于水。有毒，半数致死量(小鼠，经口)1436mg/kg。有刺激性。
  • 急性毒性:口服-小鼠 LD50: 1436 毫克/公斤; 腹腔-小鼠 LD50: 1215 毫克/公斤
  • F:8
  • 灭火剂:二氧化碳、砂土、泡沫、砂土
  • 外观性质:无色液体。

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  6. C7 - Aryl
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳香卤代烃
  6. C6