기본 정보
- 표준 SMILES
CCCCCCCl- InChIKey
MLRVZFYXUZQSRU-UHFFFAOYSA-N- 분자식
- C6H13Cl
- 평균 분자량
- 120.62 g/mol
- 단동위원소 질량
- 120.0705781
개요
Mobil, clear liquid.
이름 및 식별자
- 우선 이름
- 1-Chlorohexane
- IUPAC
- 1-chlorohexane
- 현지명
- 클로로헥산
- 영어명
- 1-Chlorohexane
- 분자식
- C6H13Cl
- 분자량
- 120.62
이름 및 동의어
1-CHLOROHEXANE544-10-5Hexyl chloriden-Hexyl chlorideHexane, 1-chloro-R5L7I6O9NWDTXSID1060265RefChem:907550DTXCID7041704208-859-5Chlorohexane1-Chloro-hexane
이름 더 보기
1-클로로헥세인클로로헥산1-클로로헥산1-ChlorhexanorohexaneHexylchloridn-HexylchloridN-Chlorohexane1-chloro-hexanChlorine hexane
MFCD00001018Hexane, chloro-UNII-R5L7I6O9NWhexylchloridehexylchoride1-Hexyl chlorideEINECS 208-859-5normal-Hexyl chloride
데이터베이스 식별자
- CAS
25495-90-3、544-10-5、70776-07-7- PubChem CID
- 10992
- DTXSID
DTXSID1060265- ChEMBL
CHEMBL156095- UNII
- R5L7I6O9NW
- EC Number
- 208-859-5
- Nikkaji
- J2.647F
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 27.4
실험 및 물리화학적 성질
Chemical Classes
Other Classes -> Halogenated Aliphatics, Saturated
Flammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
Flash Point95 °F (NFPA, 2010)
Vapor Pressure9.37 [mmHg]
Physical Description
Mobil, clear liquid.
Mobile liquid; [Merck Index]
물리화학적 성질
- 녹는점
- -94 °C · -94 °C (lit.)
- 끓는 점
- 133 · 133-134 °C (lit.)
- 밀도
- 0.879 g/mL · 0.879 g/mL at 25 °C (lit.)
- 증기압
- 53 hPa · 53 hPa (55 °C)
- 굴절률
- 20 · n20/D 1.419(lit.)
- 인화점
- 80 °F · 80 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 물: 불용성(lit.)
- 물리적 상태
- 액체
- 색상
- 맑은 노란색
- 폭발한계
- 1 · 1.0-9.6%(V)
- 수용성
- water: insoluble(lit.)
- Merck
- 14 · 14,2144
- BRN
- 1731289 · 1731289
- Henry's Law Constant
- 3.1 · 3.1×10-4 mol/(m3Pa) at 25℃, Li et al. (1993)
- Dielectric constant
- 5.82 · 5.8200000000000003
- 안정성
- 안정적인. 가연성. 강한 산화제, 강한 염기와 호환되지 않습니다.
- InChI
- 1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3
- InChIKey
- MLRVZFYXUZQSRU-UHFFFAOYSA-N
- SMILES
- CCCCCCCl
- LogP
- 3.54 at · 3.54 at 25℃
- NIST
- 1 · Hexane, 1-chloro-(544-10-5)
- EPA
- 1 · 1-Chlorohexane (544-10-5)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 181 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Hexane, 1-chloro-
Status: Active Update: 23-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11661
1-Chlorohexane: 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.)
DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See 1,6-Dichlorohexane and n-Butyl chloride.
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity Profile
Halogenated aliphatic compounds, such as 1-CHLOROHEXANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
DOT Hazard Classification
1-Chlorohexane
Marine pollutant
normal-Hexyl chloride
Marine pollutant
Air and Water ReactionsHighly flammable. Vapors may form explosive mixtures with air.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable agents - 3rd degree
안전 및 보호
Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- 독성
- LD50 orally in Rabbit: 7000 mg/kg
- HS 번호
- 29031980
- risk_code
- 10-37-20/21-50/53
- hazard_code
- Xi,N
- safety_code
- 23-24/25-16-61-60
- 포장분류
- III
- 위험 등급
- 3
- 자연 발화 온도
- 225 °C
- Hazard Classifications
- Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
UsesUsed as an intermediate; [ExPub: EPA - TSCATS] Used to make fine chemicals; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationHexane, 1-chloro-: ACTIVE
응용 분야
일반 설명Mobil, clear liquid.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
22건
연결된 노트
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