4-Butylaniline 4-正丁基苯胺

CAS 104-13-2 MFCD00007925

化学结构图

104-13-2
SMILES: CCCCc1ccc(N)cc1

化学属性

Mol. FormulaC10H15N
Mol. Weight149.23
Density0.945
Refractive index1.5340 to 1.5360
Boiling Point261.0±0.0 °C at 760 mmHg
Flash Point101°C(lit.)
TSCAYes
Melting Point-14 °C
Appearance 无色液体。沸点261℃，133-134℃（1.86kPa），熔点-14℃，相对密度0.945（20/4℃），折光率1.5350。易溶于醇、醚、不溶于水。有苯胺气味。

别名和识别编码

Chemical Name4-Butylaniline
CAS Number104-13-2
EC Number203-177-4
Beilstein Registry Number1447268
MDL NumberMFCD00007925
PubChem Substance ID87563380
Synonym 4-Butylaniline {LY} 4-Butylaniline {} {LY} 4-Butylaniline {} {} {LY} 4-Butylaniline {} {} {} {LY} 4-Butylaniline {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {} {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Butylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Reaxys-RN1447268
Chemical Name Translation4-正丁基苯胺
InChIKeyOGIQUQKNJJTLSZ-UHFFFAOYSA-N
Wiswesser Line NotationZR D4
LabNetwork Molecule IDLN00227300
InChIInChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3
Canonical SMILESNC1=CC=C(CCCC)C=C1
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分类

  • {SNA} Amines, Building Blocks, C10, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Beilstein:12(1)503

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • 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；
  • 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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P301+P310
  • P301+P312+P330
  • P302+P350
  • P302+P352+P312+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P332+P313
  • P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301+H311+H331
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302+H312+H332
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSBW9470000
Hazard Codes 6.1 T
UN Number 2810 UN 2810 6.1/PG 3
Storage condition 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, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Packing GroupIII 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 81 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 17,900,1974

其他信息

  • TCI Shanghai:4-正丁基苯胺 4-Butylaniline,>;98.0%(GC)(T)(104-13-2)
  • 储运特性:库房通风低温干燥
  • 毒性分级:高毒
  • 海关编码:29214980
  • 图谱信息:4-正丁基苯胺(104-13-2)红外图谱(IR1) 4-正丁基苯胺(104-13-2)质谱(MS) 4-正丁基苯胺(104-13-2)核磁图( 13 CNMR) 4-正丁基苯胺(104-13-2)核磁图( 1 HNMR)
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物烟雾
  • MSDS 信息:4-Butylaniline(104-13-2).msds
  • 用途一:染料中间体。用于生产卡普蓝、绿GS、5GS等。
  • 急性毒性:腹腔-小鼠LD50:81 毫克/公斤
  • 上游原料:氯化锌
  • Alfa Aesar:4-正丁基苯胺,97% 4-n-Butylaniline, 97%(104-13-2)
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 方法一:由苯胺与丁醇在氯化锌存在下反应而得。将1mol苯胺、1mol丁醇、6.5mol无水氯化锌加热到121℃，压力为0.78MPa，反应6h后再升温240℃，压力为2.06-2.16MPa，反应10h至终点。取反应物在碱液中回流5h，分离得粗品4.5-5kg，收率40-45%。
  • MOL 文件:104-13-2.mol
  • 类别:有毒物品
  • Sigma Aldrich:104-13-2(sigmaaldrich)
  • 4-正丁基苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0272 4-丁基苯胺 4-Butylaniline 500ML 1250元 2014/06/02 B0272 4-丁基苯胺 4-Butylaniline 25ML 155元 2010/05/25 B25234 4-正丁基苯胺, 97% 4-n-Butylaniline, 97% 25g 259元
  • 下游产品:酸性绿28 --> 溶剂绿 28 --> C.I.酸性绿27

系列性分类

  1. C10 - Amines
  1. C13 - Amines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Amidates/Imidates - Nitrogen Compounds
  1. Materials Science 材料科学
  2. Building Blocks for Liquid Crystals

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