3-(Chloromethyl)-Heptane 氯代异辛烷

CAS 123-04-6 MFCD00018940

化学结构图

123-04-6
SMILES: CCCCC(CC)CCl

化学属性

Mol. FormulaC8H17Cl
Mol. Weight148.67
Refractive index1.4300 to 1.4340
Flash Point60°C(lit.)
Melting Point-70 °C
Boiling Point173.426 °C at 760 mmHg
Density0.88
Solubility0.0503 G/L (20 ºC)
Appearance 无色液体。沸点170,相对密度(20/4℃)0.840。溶于卤代烃,不溶于水,能与醇、醚混溶。

别名和识别编码

Chemical Name3-(Chloromethyl)-Heptane
Synonym 3-(Chloromethyl)heptane {LY} 3-(Chloromethyl)heptane {} {LY} 3-(Chloromethyl)heptane {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {} {} {} {} {} {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {} {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {} {} {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {} {} {} {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {} {} {} {} {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {} {} {} {} {} {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Chloromethyl)heptane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Chloromethyl)heptane
MDL NumberMFCD00018940
CAS Number123-04-6
EC Number204-594-4
Reaxys-RN1697456
Beilstein Registry Number1(4)430
PubChem Substance ID31240
Chemical Name Translation氯代异辛烷
Wiswesser Line NotationG1Y4&2
LabNetwork Molecule IDLN00240060
InChIInChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
Canonical SMILESCCC(CCl)CCCC
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分类

  • {uni_hamburg} no charge; 1fragment

相关文献及参考

  • Short: IV/16
  • Short: IV/20A
  • Beilstein:1(4)430
  • Short: EINECS
  • Short: III/38B

安全信息

Hazard Codes Xi
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • 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;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
RTECSMI8760000
UN Number 1993
Signal word
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P332+P313
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P305+P351+P338+P337+P313
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
Packing GroupIII
Hazard Class3
GHS Symbol
TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2000 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 15800 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7340 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 急性毒性:口服- 大鼠 LD50: 7340 毫克/ 公斤
  • 储运特性:库房通风低温干燥
  • 用途一:用于有机合成。
  • 上游原料:2-乙基己醇
  • 图谱信息:氯代异辛烷(123-04-6)质谱(MS) 氯代异辛烷(123-04-6)核磁图( 13 CNMR)
  • 刺激数据:皮肤- 兔子 500 毫克 轻度; 眼睛- 兔子 100 毫克/ 24 小时 轻度
  • 毒性分级:低毒
  • MSDS 信息:Isooctylchloride(123-04-6).msds
  • 类别:易燃液体
  • 灭火剂:干粉、泡沫、砂土、水
  • Sigma Aldrich:123-04-6(sigmaaldrich)
  • 职业标准:STEL 10 毫克/ 立方米
  • 方法一:将1g吡啶混入26g异辛醇中,加入50g氯化亚砜,加热回流4h。蒸馏,分出油层,油层经水洗、干燥、过滤得到粗品。将粗品分馏,收集162-164℃馏分,得氯代异辛烷成品。
  • 氯代异辛烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1534 3-(氯甲基)庚烷 3-(Chloromethyl)heptane 5G 837元 2010/06/21 344981000 氯代异辛烷 3-(Chloromethyl)heptane 90% 100 ML 2358元 2010/06/21 344980250 氯代异辛烷 3-(Chloromethyl)heptane 90% 25 ML 813元
  • MOL 文件:123-04-6.mol
  • TCI Shanghai:3-氯甲基庚烷 3-(Chloromethyl)heptane,>;98.0%(GC)(123-04-6)
  • Acros Organics:3-(Chloromethyl)heptane, 98+%(123-04-6)
  • 可燃性危险特性:易燃; 燃烧产生有毒氯化物气体

系列性分类


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