4-Butoxyaniline 4-丁氧基苯胺

CAS 4344-55-2 MFCD00007866

化学结构图

4344-55-2
SMILES: CCCCOc1ccc(N)cc1

化学属性

Mol. FormulaC10H15NO
Mol. Weight165.23
Density0.992
Refractive index1.5350 to 1.5400
Flash Point>110°(230°F)
TSCAYes
Boiling Point148149°C at 13 mmHg
Melting Point130-132 °C

别名和识别编码

Chemical Name4-Butoxyaniline
CAS Number4344-55-2
EC Number224-402-2
Beilstein Registry Number2084421
MDL NumberMFCD00007866
Synonym 4-Butoxyaniline {LY} 4-Butoxyaniline {} {LY} 4-Butoxyaniline {} {} {LY} 4-Butoxyaniline {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {} {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Butoxyaniline {} {} {} {} {} {} {}
PubChem Substance ID20352
Chemical Name Translation4-丁氧基苯胺
Reaxys-RN2084421
InChIKeyUBRIHZOFEJHMIT-UHFFFAOYSA-N
LabNetwork Molecule IDLN00005940
Canonical SMILESCCCCOC1=CC=C(C=C1)N
InChIInChI=1S/C10H15NO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8,11H2,1H3
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分类

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

安全信息

Signal word Warning
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;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • 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
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • 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。
  • P264+P265
  • 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。
  • 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+P312
  • P301+P312+P330
  • P301+P317
  • P302+P350
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSBW9420000
Packing GroupIII
UN Number UN2810 2810
Hazard Codes Xn Xn,Xi
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 89,153,1947

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NYKZAU Nippon Yakurigaku Zasshi.  Japanese Journal of Pharmacology. (Nippon
   Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho,
   Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40-    1944- Volume(issue)/page/year:
   52,215,1956

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 用途一:医药中间体。
  • 方法一:由对硝基酚钠经烃化、还原而得。1.烃化将对硝基酚钠、溴丁烷加入乙醇中加热回流,反应4h后,加压保温反应16h。然后降温至75℃以下过滤,滤液回收乙醇,剩余液经水洗涤,分去水分,得油状对硝基苯丁醚。2.还原先将硫磺、硫化钠加入水中加热溶解,分次将对硝基苯丁醚加入,在138-140℃保温反应16h。降温至130℃以下,加水搅拌后静置分层。水层弃去,将油层过滤后减压蒸馏,收集144-146℃(1.33kPa)馏分,得对氨基苯丁醚。
  • MOL 文件:4344-55-2.mol
  • Acros Organics:4-Butoxyaniline, 97%(4344-55-2)
  • 上游原料:硫化钠 --> 溴化钠 --> 溴丁烷 --> 4-硝基苯酚钠 --> 1-丁氧基-4-硝基苯
  • Sigma Aldrich:4344-55-2(sigmaaldrich)
  • Hazard Note:Irritant
  • Alfa Aesar:4-n-丁氧基苯胺,97% 4-n-Butoxyaniline, 97%(4344-55-2)
  • 图谱信息:4-氨基苯丁醚 (4344-55-2)质谱(MS) 4-氨基苯丁醚 (4344-55-2)核磁图( 13 CNMR) 4-氨基苯丁醚 (4344-55-2)红外图谱(IR1)
  • TCI Shanghai:4-正丁氧基苯胺 4-Butoxyaniline,>;98.0%(GC)(4344-55-2)

系列性分类