기본 정보
- CAS
5238-27-7- 표준 SMILES
CCCC(C)C(=O)Cl- InChIKey
MFIQXAVMTLKUJR-UHFFFAOYSA-N- 분자식
- C6H11ClO
- 평균 분자량
- 134.6 g/mol
- 단동위원소 질량
- 134.04984265
이름 및 식별자
- 우선 이름
- 2-Methylvaleryl chloride
- IUPAC
- 2-methylpentanoyl chloride
- 영어명
- 2-METHYLVALERYL CHLORIDE
- 분자식
- C6H11ClO
- 분자량
- 134.6
이름 및 동의어
2-Methylvaleryl chloride2-Methylpentanoyl chloride2-Methylvaleroyl chloride.alpha.-Methyl valeroyl chlorideEINECS 226-035-3Pentanoyl chloride, 2-methyl-DTXSID10966789RefChem:88418alpha-Methyl valeroyl chlorideDTXCID901394407226-035-3MFIQXAVMTLKUJR-UHFFFAOYSA-N
이름 더 보기
A-METHYLVALEROYL CHLORIDE2-Methylvalerylchloride,98%2-Methylpentanoic acid chloride(3Z)-4-hydroxy-4-(4-methylphenyl)-2-oxo-N-(1,3-thiazol-2-yl)but-3-enamide
5238-27-72-Methylvalerylchloride2-Methyl-pentanoyl chlorideMFCD000136562-methyvaleryl chloride2-methyl pentanoyl chloride2-methyl-n-pentanoyl chlorideSCHEMBL290488
데이터베이스 식별자
- CAS
5238-27-7- PubChem CID
- 107385
- DTXSID
DTXSID10966789- EC Number
- 226-035-3
- Nikkaji
- J297.951I
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 80.6
물리화학적 성질
- 끓는 점
- 140 · 140-144 °C(lit.)
- 밀도
- 0.978 g/mL · 0.978 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.425(lit.)
- 인화점
- 100 °F · 100 °F
- BRN
- 1743993 · 1743993
- InChI
- InChI=1S/C6H11ClO/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3
- InChIKey
- MFIQXAVMTLKUJR-UHFFFAOYSA-N
- SMILES
- C(C)(C(=O)Cl)CCC
화학적 성질
clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2920 8/PG 2
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
화학 및 산업
공급사24 곳
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