クロロシクロヘキサン

Chlorocyclohexane

HCID 10952CAS 542-18-7

基本情報

標準SMILES
ClC1CCCCC1
InChIKey
UNFUYWDGSFDHCW-UHFFFAOYSA-N
分子式
C6H11Cl
平均分子量
118.6 g/mol
単同位体質量
118.05492803

概要

Monochlorocyclohexane is a chlorocyclohexane carrying a single chloro group.

名称と識別子

優先名称
Chlorocyclohexane
IUPAC
chlorocyclohexane
現地名
クロロシクロヘキサン
英語名
Chlorocyclohexane
分子式
C6H11Cl
分子量
118.6

名称と別名

CHLOROCYCLOHEXANE542-18-7Cyclohexyl chlorideCyclohexane, chloro-MonochlorocyclohexaneChlorcyclohexanChlorzyklohexanchloro-cyclohexaneMFCD00003822PNV8C821FHNSC-8434EINECS 208-806-6
名称をさらに表示
クロロシクロヘキサン塩化シクロヘキシル1-クロロシクロヘキサンヘキサヒドロクロロベンゼンシクロヘキシルクロリド塩化シクロヘキシル クロロシクロヘキサン 塩化物クロルシクロヘキサン塩化シクロヘキシル(クロロシクロヘキサン)CCCyclohexylchloridIL8RAIL8R2CDw128b)CHLORHEXAMETHYLENECHLOROHEXAMETHYLENE
HSDB 2801NSC 8434Monochlorocyclohexane; Cyclohexyl Chloride; NSC 8434UNII-PNV8C821FHBRN 1900796AI3-23841chlor-cyclohexanecyclohexylchloride

データベース識別子

CAS
542-18-7
PubChem CID
10952
DTXSID
DTXSID3052193
ChEBI
CHEBI:39156
UNII
PNV8C821FH
EC Number
208-806-6
Nikkaji
J1.598I

物性

構造計算による物性

XLogP
3
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
0
重原子数
7

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Halogenated Cyclic Hydrocarbons

Flammable agents - 3rd degree

SpringerMaterials PropertiesCoriolis coupling
OdorSUFFOCATING ODOR
Density1.000 @ 20 °C/4 °C
Color/FormCOLORLESS LIQUID
SolubilityINSOL IN WATER, VERY SOL IN CHLOROFORM; SOL IN ALL PROP IN ALCOHOL, ETHER, ACETONE, BENZENE

物理化学的性質

融点
-44 °C · -44 °C (lit.)
沸点
142 °C · 142 °C (lit.)
比重(密度)
1 g/mL · 1 g/mL at 25 °C (lit.)
蒸気圧
7 hPa · 7 hPa (20 °C)
屈折率
20 · n20/D 1.462(lit.)
闪点
84 °F · 84 °F

化学的性質

化学的特性clear liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 188 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

危険有害性情報

Regulatory Information · 5 件

Chemical: Cyclohexane, chloro-

Cyclohexane, chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexane, chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 07-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11240

Chlorocyclohexane: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Fire PotentialMODERATE, WHEN EXPOSED TO HEAT OR FLAME... IT CAN REACT WITH OXIDIZING MATERIALS.
Hazards SummaryIn lethal-dose inhalation studies, causes excitement, spasticity, and dyspnea; [RTECS] Alicyclic hydrocarbons act like aliphatic hydrocarbons causing CNS depression; [HSDB] An irritant; [MSDSonline]
Hazard Classes and Categories · 3 件

Flam. Liq. 3 (100%)

Flammable liquids - Category 3

Flammable agents - 3rd degree

Skin, Eye, and Respiratory IrritationsMILDLY IRRITATING TO HUMAN SKIN. /CYCLOHEXANE/
Hazardous Reactivities and IncompatibilitiesDANGEROUS...ON CONTACT WITH ACIDS OR ACID FUMES THEY EVOLVE HIGHLY TOXIC CHLORIDE FUMES. /CHLORIDES/

安全と保護具

Storage Conditions · 1 件

...MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS DUE TO CONTACT WITH HEAT, MOISTURE, ACID, OR ACID FUMES, SHOULD BE STORED IN COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD & SHOULD BE PERIODICALLY INSPECTED & MONITORED.

Preventive MeasuresBASIC VENTILATION METHODS ARE LOCAL & EXHAUST VENTILATION & DILUTION OR GENERAL VENTILATION.

毒性情報

Effluent ConcentrationsANALYSIS OF SECONDARY MUNICIPAL WASTE WATER AFTER SUPER CHLORINATION SHOWED PRESENCE OF OVER 30 HALOGENATED ORG SPECIES NOT PRESENT IN NON-CHLORINATED CONTROL.
Human Toxicity Excerpts · 3 件

MILDLY IRRITATING TO HUMAN SKIN. NO SYSTEMIC POISONINGS HAVE BEEN REPORTED... /CYCLOHEXANE/

LIQUID ALICYCLIC HYDROCARBONS WILL DEHYDRATE & DELIPIDIZE SKIN ON REPEATED OR PROLONGED CONTACT & CAUSE DERMATITIS. DIRECT CONTACT...WITH LUNG TISSUE (ASPIRATION) WILL CAUSE PULMONARY EDEMA, PNEUMONITIS & HEMORRHAGE. VAPORS IN SUFFICIENT CONCN WILL CAUSE IRRITATION OF MUCOUS MEMBRANES. /LIQUID ALICYCLIC HYDROCARBONS/

...ALICYCLIC HYDROCARBONS RESEMBLE...ALIPHATIC HYDROCARBONS...THEY ARE ANESTHETICS & CNS DEPRESSANTS WITH RELATIVELY LOW ORDER OF ACUTE TOXICITY... CUMULATIVE TOXICITY FROM REPEATED EXPOSURE TO LOW ATMOSPHERIC CONCN IS IMPROBABLE...NO EVIDENCE.../THEY/ ARE SPECIFIC BLOOD-FORMING TISSUE TOXICANTS. /ALICYCLIC HYDROCARBONS/

Non-Human Toxicity Excerpts · 1 件

HIGH VAPOR CONCN HAVE PRODUCED CONVULSIONS IN RABBITS. TOXIC ORAL DOSES IN RABBITS LED TO SEVERE DIARRHEA, CIRCULATORY COLLAPSE, & DEATH, WITHOUT PROMINENT CENTRAL NERVOUS DEPRESSION OR ANESTHESIA. AUTOPSY REVEALED GENERALIZED VASCULAR DAMAGE WITH DEGENERATIVE LESIONS IN BRAIN & VISCERA. /CYCLOHEXANE/

Toxicity DataLCLo (rat) = 40,000 mg/m3/2h

安全データ

wgk
1
tsca
TSCA listed
rtecs
GU8685000
ridadr
UN 1993 3/PG 3
毒性
LD50 orally in Rabbit: 3000 mg/kg
hs_code
29035990

化学と産業

薬理情報

Absorption, Distribution and ExcretionTHEY DO NOT TEND TO ACCUMULATE IN BODY TISSUES... /ALICYCLIC HYDROCARBONS/

用途と製造

U.S. Production2023: 23,810 lb
Industry UsesPolymerization promoter
General Manufacturing Information · 2 件

Fabricated Metal Product Manufacturing

Cyclohexane, chloro-: ACTIVE

応用分野 · 4 件

解説クロロシクロヘキサンとは、の水素原子1つがに置き換わった有機塩素化合物の1種です。 化学式はC6H11Clです。塩化シクロヘキシルとも呼ばれ、常温では刺激臭のある液体状態として存在します。

用途農薬原料、ゴム薬原料、医薬?農薬中間体

使用Chlorocyclohexane is used as the raw material in synthesis agrochemical and medicine chemical engineering products.

使用用途クロロシクロヘキサンは、農薬原料用、ゴム原料用、医薬品用などの中間合成物として、様々な用途に使用されます。このうち、ゴム原料向けの合成材料としての用途例を示します。 クロロシクロヘキサンは、N-シクロヘキシルチオフタルイミドという物質の生成に使用されます。ゴムが貯蔵中や成型作業中に硬化してしまい加工が困難になる現象を「スコーチ現象」と呼びますが、N-シクロヘキシルチオフタルイミドは、においてスコーチ現象の防止剤として作用します。

調製方法 · 1 件

純化方法Wash chlorocyclohexane several times with dilute NaHCO3, then repeatedly with distilled water. Dry it with CaCl2 and fractionally distil it slowly at atmospheric pressure or better under vacuum. [Perlman et al. J Org Chem 1 294 1937, IR: Roberts & Chambers J Am Chem Soc 73 5031 1951, Beilstein 5 H 21, 5 I 8, 5 II 11, 5 III 37, 5 IV 48.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
南京兰亚化工贸易有限公司+86-25-8331-5620 · [email protected]

補足説明

定義ChEBI: A chlorocyclohexane carrying a single chloro group.

関連反応

23 件

関連ノート

読み込み中…