기본 정보
- 표준 SMILES
ClC1CCCCC1- InChIKey
UNFUYWDGSFDHCW-UHFFFAOYSA-N- 분자식
- C6H11Cl
- 평균 분자량
- 118.6 g/mol
- 단동위원소 질량
- 118.05492803
개요
Monochlorocyclohexane is a chlorocyclohexane carrying a single chloro group.
이름 및 식별자
- 우선 이름
- Chlorocyclohexane
- IUPAC
- chlorocyclohexane
- 현지명
- 클로로시클로헥산
- 영어명
- Chlorocyclohexane
- 분자식
- C6H11Cl
- 분자량
- 118.6
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
542-18-7- PubChem CID
- 10952
- DTXSID
DTXSID3052193- ChEBI
CHEBI:39156- UNII
- PNV8C821FH
- EC Number
- 208-806-6
- Nikkaji
- J1.598I
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 46.1
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Halogenated Cyclic Hydrocarbons
Flammable agents - 3rd degree
물리화학적 성질
- 녹는점
- -44 °C · -44 °C (lit.)
- 끓는 점
- 142 °C · 142 °C (lit.)
- 밀도
- 1 g/mL · 1 g/mL at 25 °C (lit.)
- 증기압
- 7 hPa · 7 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.462(lit.)
- 인화점
- 84 °F · 84 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 0.4 g/L · 0.40g/L
- 물리적 상태
- 액체
- 색상
- 투명한
- 폭발한계
- 1.1 · 1.1-7.5%(V)
- 수용성
- 0.02 g/L · 0.02g/L(20℃)
- Merck
- 14 · 14,2732
- BRN
- 1900796 · 1900796
- Henry's Law Constant
- 2.8 · 2.8×10-3 mol/(m3Pa) at 25℃, Bakierowska and Trzeszczy\'nski (2003)
- Dielectric constant
- 7.6 · 7.6(24℃)
- InChI
- 1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
- InChIKey
- UNFUYWDGSFDHCW-UHFFFAOYSA-N
- SMILES
- ClC1CCCCC1
- NIST
- Cyclohexane, chloro-(542-18-7)
- EPA
- Cyclohexane, chloro- (542-18-7)
화학적 성질
clear liquid
안전 및 규제
GHS 분류
GHS Classification
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]
유해성 정보
Regulatory Information
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.)
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable liquids - Category 3
Flammable agents - 3rd degree
안전 및 보호
Storage Conditions
...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.
독성 정보
Human Toxicity Excerpts
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
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/
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- GU8685000
- ridadr
- UN 1993 3/PG 3
- 독성
- LD50 orally in Rabbit: 3000 mg/kg
- HS 번호
- 29035990
- risk_code
- 10-36/37/38-20
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39-16
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-09228
- 자연 발화 온도
- 290 °C
- Hazard Classifications
- Aquatic Chronic 2Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
- 유해 물질 데이터
- 542-18-7(Hazardous Substances Data)
화학 및 산업
약리 정보
용도 및 제조
General Manufacturing Information
Fabricated Metal Product Manufacturing
Cyclohexane, chloro-: ACTIVE
응용 분야
용도Chlorocyclohexane is used as the raw material in synthesis agrochemical and medicine chemical engineering products.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: A chlorocyclohexane carrying a single chloro group.
관련 반응
연결된 노트
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