CAS 542-18-7 MFCD00003822-Cyclohexyl Chloride 氯环己烷 TAO{mole}

Cyclohexyl Chloride 氯环己烷

CAS 542-18-7 MFCD00003822

化学结构图

SMILES: Clc1ccccc1

化学属性

Mol. Formula	C6H11Cl
Mol. Weight	118.60
Density	1.0
Refractive index	1.4620 to 1.4630
Boiling Point	142 °C at 760 mmHg
Melting Point	-44 °C
Flash Point	32°C(lit.)
TSCA	Yes
Solubility	不溶于水，溶于醇。

别名和识别编码

Chemical Name	Cyclohexyl Chloride
Synonym	Chlorocyclohexane {LY} Chlorocyclohexane {} {LY} Chlorocyclohexane {} {} {LY} Chlorocyclohexane {} {} {} {LY} Chlorocyclohexane {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {} {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Chlorocyclohexane {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number	542-18-7
EC Number	208-806-6
Beilstein Registry Number	1900796
MDL Number	MFCD00003822
PubChem Substance ID	10952
Merck Number	2732
Reaxys-RN	1900796
Chemical Name Translation	氯环己烷
LabNetwork Molecule ID	LN00239523
InChI	InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
Canonical SMILES	ClC1CCCCC1

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产品应用

医药中间体，用于制取抗癫痫；痉挛药盐酸苯海索。也是农药三环锡的中间体和橡胶防焦剂。

安全信息

Signal word

GHS Symbol

WGK Germany1

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；
S37 Wear suitable gloves 戴适当手套；
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；

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
R10 Flammable 易燃

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。
P303+P361+P353
P501 Dispose of contents/container to..… 处理内容物/容器.....
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。
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。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P370+P378
P233 Keep container tightly closed. ?保持容器密闭。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338

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

RTECSGU8685000

Packing GroupIII

UN Number

Hazard Codes Xn

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

Hazard Class3

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 27(6),24,1962

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 40 gm/m3/2H
TOXIC EFFECTS :
   Behavioral - excitement
   Behavioral - muscle contraction or spasticity
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 10(1),49,1966

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 31 gm/m3/2H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,36,1982

其他信息

MOL 文件:542-18-7.mol
方法二:由环己醇经氯化而得：环己醇与30%盐酸混合搅拌，升温至85℃回流12h，温度逐渐上升至103℃左右。回流结束，冷至20℃，静置分层，放去酸水，以氯化钠饱和液及碳酸钠溶液分别洗1次，用无水氯化钙干燥，分馏，收集141-142.5℃馏分，得氯代环己烷。收率为83%。
Alfa Aesar:氯环己烷,98% Chlorocyc
具有窒息性气味。不溶于水，水中溶解度:0.02 g/L (20°C)，易溶于氯仿。能与乙醇、乙醚、丙酮和苯混溶。遇水受热分解，产生盐酸并使颜色变黄。
毒性分级:低毒
上游原料:盐酸 --> 氯化钠 -->
储运特性:库房通风低温干燥; 与氧化剂分开存放
职业标准:STEL 50 毫克/ 立方米
灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
急性毒性:吸入-大鼠LCL0:31000毫克/立方米;吸入-小鼠LC50:31000毫克/立方米/2小时
用途一:可生
可燃性危险特性:遇明火、高温、氧化剂较易燃; 燃烧产生有毒氯化物烟雾
类别:易燃液体
MSDS 信息:环己基氯(542-18-7).msds
海关编码:29035990
方法一:氯代环己烷的合成方法有以下两种。 (1)环己醇氯化法将环己醇与30％盐酸混合搅拌，升温至85℃回流12h，内温逐渐上升至103℃左右；回流结束，冷至20℃，静置分层，放去酸水，以氯化钠饱和液及碳酸钠溶液分别洗1次，用无水氯化钙干燥，分馏，收集141～142.5℃馏分，得氯代环己烷，收率为83％。 (2)环己烷氯化法由环己烷用氯气氯化制得。向反应器中加入环己烷，在50～90℃下通氯气，经分析氯代环己烷含量达到70％以上时即可停止反应，一般在反应2h后，环己烷的转化率可达70％以上，反应物料精馏回收未反应的环己烷。
用途六:医药中间体，用于制取抗癫痫；痉挛药盐酸苯海索。也是农药三环锡的中间体和橡胶防焦剂。
氯代环己烷价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 80040226 氯代环己烷;环己基氯 100ml 105元 2011/04/16 C0153 氯环己烷 Chlorocyclohexane 500ML 552元 2011/04/16 C0153 氯环己烷 Chlorocyclohexane 25ML 140元
用途四:氯代环己烷又名环己基氯，在农药上用于合成杀螨剂三环锡和三唑锡的中间体三环己基氯化锡，此外，也可用于合成医药盐酸苯海索，还可用于制防焦剂GP等产品。
用途二:用于有机合成
常规方法:采用铁桶或槽车装运。本品易燃。应贮存在干燥、阴凉、通风良好的仓库内。远离火种、热源。防晒、防止撞击。按易燃物品规定贮运。轻装、轻卸，防止包装破损。
防护措施:环已烷具有麻醉及刺激皮肤作用，其卤代物作用更强。生产车间应有良好通风，设备应密闭。操作人员应穿戴防护用具。
Sigma Aldrich:542-18-7(sigmaaldrich)
TCI Shanghai:氯代环己烷 Chlorocyclohexane,>;98.0%(GC)(542-18-7)
下游产品:2-二环己膦基-2'-(N,N-二甲胺)-联苯 --> 炔螨特 --> 三唑锡 --> 三唑锡悬浮剂 --> N-环己基硫代邻苯二甲酰亚胺 --> 三环乙基氯化锡 --> 三唑锡可湿性粉剂 --> 苯基二环己基膦 --> 环己甲醇
图谱信息:氯代环己烷(542-18-7)Raman光谱氯代环己烷(542-18-7)核磁图( 13 CNMR) 氯代环己烷(542-18-7)质谱(MS) 氯代环己烷(542-18-7)红外图谱(IR2) 氯代环己烷(542-18-7)红外图谱(IR1) 氯代环己烷(542-18-7)核磁图( 1 HNMR)