1,6-Heptadiyne 1,6-庚二炔

CAS 2396-63-6 MFCD00014925

化学结构图

2396-63-6
SMILES: C#CCCCC#C

化学属性

Mol. FormulaC7H8
Mol. Weight92.14 g/mol
Refractive indexn20/D 1.441(lit.)
Boiling Point112°C(lit.)
Density0.805 g/mL at 25 °C(lit.)
Flash Point9°C(lit.)
TSCAYes
Melting Point-85°C

别名和识别编码

Chemical Name1,6-Heptadiyne
CAS Number2396-63-6
PubChem Substance ID337121
EC Number219-253-5
MDL NumberMFCD00014925
Reaxys-RN1731756
Beilstein Registry Number1(4)1121
Synonym 1,6-HEPTADIYNE 1,6-HEPTADIYNE 98% 1,6-Heptadiin 1,6-Heptadiyne {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation1,6-庚二炔
InChIKeyRSPZSDWVQWRAEF-UHFFFAOYSA-N
Wiswesser Line Notation1UU5UU1
LabNetwork Molecule IDLN01284909
InChIInChI=1S/C7H8/c1-3-5-7-6-4-2/h1-2H,5-7H2
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分类

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

相关文献及参考

  • Short: III/38B
  • Short: EINECS
  • Beilstein:1(4)1121
  • Short: IV/8C
  • Undergoes [2+2+2] cyclotrimerization, e.g. with propargyl alcohol, catalyzed by Chlorotris(triphenyl­phosphine)­rhodium(I)­, 10468: J. Che
  • Undergoes [2+2+2] cyclotrimerization, e.g. with propargyl alcohol, catalyzed by Chlorotris(triphenyl­phosphine)­rhodium(I)­, 10468: J. Chem. Soc., Perkin 1, 1357 (1988):

安全信息

GHS Symbol
WGK Germany2
Hazard Codes F
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
RTECSMI5600000
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。
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • 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。
  • P301+P310
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • 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。
  • P331 Do NOT induce vomiting.. 不要催吐。
  • P332+P313
  • P337+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
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger {} {} {} {} {} {TCI}
UN Number 3295 UN3295 UN 3295 3/PG 2
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
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • 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；
  • S29 Do not empty into drains 不要排入下水道；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S43 In case of fire use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add -?Never use water) 着火时使用（指明具体的消防器材种类，如果用水增加危险，注明“禁止用水”
  • 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；
Packing GroupII
Hazard Class3
Storage condition Refrigerator (+4°C) 储存温度2-8℃ 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 3830 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - nausea or vomiting
   Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring)
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 19,389,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2620 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - food intake (animal)
   Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring)
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 19,389,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2300 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - food intake (animal)
   Liver - hepatitis, fibrous (cirrhosis, post-necrotic scarring)
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 19,389,1960

其他信息

  • Alfa Aesar:1,6-庚二炔,97% 1,6-Heptadiyne, 97%(2396-63-6)
  • TCI Shanghai:1,6-庚二炔 1,6-Heptadiyne,>;96.0%(GC)(2396-63-6)
  • Sigma Aldrich:2396-63-6(sigmaaldrich)
  • Acros Organics:1,6-庚二炔 1,6-Heptadiyne, 98%(2396-63-6)
  • 不溶于水。
  • MOL 文件:2396-63-6.mol
  • 外观性质:无色液体。
  • MSDS 信息:1,6-庚二炔(2396-63-6).msds
  • 1,6-庚二炔价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0483 1,6-庚二炔 1,6-Heptadiyne 5ML 794元 2010/06/21 309420010 1,6-庚二炔 1,6-Heptadiyne 98% 1 GR 288元 2010/06/21 309420050 1,6-庚二炔 1,6-Heptadiyne 98% 5 GR 1137元

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. 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. 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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