1-Octyne 1-辛炔

CAS 629-05-0 MFCD00009546

化学结构图

629-05-0
SMILES: C#CCCCCCC

化学属性

Mol. FormulaC8H14
Mol. Weight110.2
Refractive index1.4140 to 1.4170
Boiling Point126°C
Vapor Pressure37.7 mmHg ( 37.7 °C)
Density0.747 g/mL at 25 °C(lit.)
Melting Point-80 °C(lit.)
Flash Point17°C(lit.)
TSCAYes
Solubility不溶于水，溶于乙醇、乙醚等。

别名和识别编码

Chemical Name1-Octyne
Synonym oct-1-yne n-hexylacetylene 1-辛炔 1-Octin 1-0ctin 1-Octyne,98+% 1-OCTYNE 1-0ctyne 正己基乙炔 caprylidene n-Hexylacetylene 1-octyne Hexylacetylene hexylacetylene Octyne-1 n-Oct-1-yne 1-Octyne (6CI, 8CI, 9CI) 1-辛炔,98+%
MDL NumberMFCD00009546
CAS Number629-05-0
PubChem Substance ID87574066
Beilstein Registry Number1,258
EC Number211-069-3
Reaxys-RN1734494
Chemical Name Translation1-辛炔
InChIKeyUMIPWJGWASORKV-UHFFFAOYSA-N
LabNetwork Molecule IDLN00239983
InChIInChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3
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分类

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

产品应用

  • 1-Octyne was used as a mechanism-based inhibitor of AlkB (nonheme di-iron alkane monooxygenase)

相关文献及参考

  • Undergoes cyanation with Copper(I)­ cyanide, 12135, in the presence of TMS chloride and NaI (catalytic) in a DMSO-acetonitrile-water solvent system: Tetrahedron Lett., 34, 5911 (1993).
  • Short: II/27B
  • Beilstein:1,258
  • Short: III/38B
  • Can be brominated in a triphasic system containing NaBr-NaOCl-water-benzene, to give 1-bromo-1-octyne: J. Org. Chem., 57, 4555 (1992).
  • Short: II/5

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRI2655000
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 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • 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+P310+P331
  • P303+P361+P353
  • P331 Do NOT induce vomiting.. 不要催吐。
  • P370+P378
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Packing GroupII
UN Number 3295 UN 3295 3/PG 2 UN3295
Risk Statements
  • R11 Highly flammable 非常易燃
  • R65 Harmful: may cause lung damage if swallowed 若吞咽可能伤害肺部器官
Safety Statements
  • S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐：立即求医并出示该容器或标签；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • 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；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S29 Do not empty into drains 不要排入下水道；
Hazard Codes F,Xn F;Xn
Hazard Class3
Storage condition 密封保存 Flammables area 储存温度2-8℃
Warnings 危化品目录(2015) 
TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - hamster Liver
DOSE/DURATION           : 100 umol/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 6,1201,1985

Restrict 危险品

其他信息

  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • Sigma Aldrich:629-05-0(sigmaaldrich)
  • 1-辛炔价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 O0050 1-辛炔 1-Octyne 25ML 422元 2014/06/02 O0050 1-辛炔 1-Octyne 250ML 2660元 2010/06/21 223511000 1-辛炔 1-Octyne 99% 100 ML 1693元
  • 下游产品:辛炔羧酸甲酯
  • 蒸气压:37.7 mm Hg ( 37.7 °C)
  • MSDS 信息:1-辛炔(629-05-0).msds
  • Alfa Aesar:1-辛炔,98% 1-Octyne, 98%(629-05-0)
  • 类别:易燃液体
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生刺激烟雾
  • MOL 文件:629-05-0.mol
  • 图谱信息:1-辛炔(629-05-0)质谱(MS) 1-辛炔(629-05-0)红外图谱(IR1) 1-辛炔(629-05-0)核磁图( 1 HNMR) 1-辛炔(629-05-0)核磁图( 13 CNMR)
  • 外观性质:无色液体。
  • 不溶于水，溶于醇、醚。
  • Acros Organics:1-辛炔 1-Octyne, 99%(629-05-0)
  • 海关编码:29012980
  • TCI Shanghai:1-辛炔 1-Octyne,>;95.0%(GC)(629-05-0)
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放; 不宜久储, 以防聚合

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. 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. 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

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