3-Butyn-1-ol 3-丁炔-1-醇

CAS 927-74-2 MFCD00002955

化学结构图

927-74-2
SMILES: C#CCCO

化学属性

Mol. FormulaC4H6O
Mol. Weight70.09
Boiling Point128.9°C at 760 mmHg
Melting Point−63.6°C
Refractive index1.4400 to 1.4420
Density0.926
Flash Point36°C
TSCAYes

别名和识别编码

Chemical Name3-Butyn-1-ol
CAS Number927-74-2
Alfabeta NameBUTYNOL 31---
MDL NumberMFCD00002955
PubChem Substance ID87563786
EC Number213-161-9
Beilstein Registry Number773710
Reaxys-RN773710
Synonym 3-Butyn-1-ol {LY} 3-Butyn-1-ol {} {LY} 3-Butyn-1-ol {} {} {LY} 3-Butyn-1-ol {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Butyn-1-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3-丁炔-1-醇
InChIKeyOTJZCIYGRUNXTP-UHFFFAOYSA-N
Wiswesser Line NotationQ3UU1
LabNetwork Molecule IDLN00008189
Canonical SMILESC#CCCO
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分类

  • Alkynes, Building Blocks, Chemical Synthesis, Organic Building Blocks, Terminal
  • {uni_hamburg} no charge; alcohol; 1fragment
  • {SNA} Alkynes, Building Blocks, Chemical Synthesis, Organic Building Blocks, Terminal

相关文献及参考

  • Beilstein:1(4)2219
  • For examples of Sonogashira coupling with aryl iodides in the presence of trans-Dichlorobis(triphenyl­phosphine)­palladium(II)­, 10491, CuI and Et3N in acetonitrile, see: J. Med. Chem., 38, 1837 (1995).
  • Short: II/14a
  • Short: II/2
  • The triflate ester cyclizes on prolonged reaction with Na trifluoroacetate in TFA to give cyclobutanone: Org. Synth. Coll., 6, 324 (1988).

安全信息

Warnings IRRITANT, FLAMMABLE
GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • 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 Codes 3
RTECSES0710000
Precautionary statements
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • 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。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • 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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • 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 Wear suitable protective clothing 穿戴适当的防护服；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 1986 1987
Packing GroupIII
Hazard Class3
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Flammables area RT, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, st 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#05171

其他信息

  • 下游产品:非索芬那定 --> 2-(丁-3-炔氧基)乙胺 --> 丁-3-炔-1-胺
  • Alfa Aesar:3-丁炔-1-醇,98+% 3-Butyn-1-ol, 98+%(927-74-2)
  • 图谱信息:3-丁炔-1-醇(927-74-2)红外图谱(IR1) 3-丁炔-1-醇(927-74-2)质谱(MS) 3-丁炔-1-醇(927-74-2)核磁图( 13 CNMR) 3-丁炔-1-醇(927-74-2)核磁图( 1 HNMR)
  • 3-丁炔-1-醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0799 3-丁炔-1-醇 3-Butyn-1-ol 25ML 480元 2014/06/02 B0799 3-丁炔-1-醇 3-Butyn-1-ol 5ML 170元 2010/06/21 157331000 3-丁炔-1-醇 3-Butyn-1-ol 97% 100 ML 4789元
  • 和水混溶。
  • TCI Shanghai:3-丁炔-1-醇 3-Butyn-1-ol,>;97.0%(GC)(927-74-2)
  • MOL 文件:927-74-2.mol
  • 外观性质:无色至淡黄色液体。和水混溶。沸点: 130℃熔点: -63.6℃密度：0.928 折光率n20/D：1.4390-1.4420 闪点：36℃
  • MSDS 信息:3-Butyn-1-ol(927-74-2).msds
  • 海关编码:29052990
  • 检测方法:GC,NMR
  • Sigma Aldrich:927-74-2(sigmaaldrich)
  • Acros Organics:3-丁炔-1-醇 3-Butyn-1-ol, 97%(927-74-2)

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. Alkynes 炔
  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Conjugation Chemistry: Azides, Alkynes 共轭化学 (叠氮化物，炔烃等)
  4. Functionalized Alkynes 功能性炔烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkynes 炔
  5. Terminal - Alkynes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkynes 炔
  5. Internal
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Acetylenes 炔烃
  1. Life Science 生命科学
  2. 昆虫信息素