CAS 58752-86-6 4-Methylcyclohexane-1-carbonyl chloride (HCID 12986357)

기본 정보

CAS: 58752-86-6
표준 SMILES: CC1CCC(C(=O)Cl)CC1
InChIKey: ODYARUXXIJYYNA-UHFFFAOYSA-N
분자식: C8H13ClO
평균 분자량: 160.64 g/mol

이름 및 식별자

우선 이름: 4-Methylcyclohexane-1-carbonyl chloride
IUPAC: 4-methylcyclohexane-1-carbonyl chloride
현지명: 4-메틸시클로헥산카르보닐클로라이드
영어명: 4-Methylcyclohexanecarbonyl chloride
분자식: C8H13ClO
분자량: 160.64

이름 및 동의어

4-methylcyclohexane-1-carbonyl chloride58752-86-6RefChem:525567990-329-455930-23-94-methylcyclohexanecarbonyl chloridetrans-4-Methylcyclohexanecarbonyl chlorideMFCD17012702MFCD242309604-Methylcyclohexanecarboxylic acid chloridetrans-4-Methylcyclohexane-1-carbonyl chloride4-Methyl-1-cyclohexanecarbonyl chloride

이름 더 보기

4-메틸시클로헥산카르보닐클로라이드Cyclohexanecarbonyl chloride, 4-methyl-Cyclohexanecarbonyl chloride, 4-a€methyl-

4-METHYL-CYCLOHEXANECARBONYL CHLORIDE4-methylcyclohexanoyl chlorideSCHEMBL134210SCHEMBL318696SCHEMBL10723720ODYARUXXIJYYNA-LJGSYFOKSA-NODYARUXXIJYYNA-UHFFFAOYSA-N4-Methylcylohexanecarbonyl chloride

데이터베이스 식별자

CAS: 58752-86-6
PubChem CID: 12986357
EC Number: 990-329-4

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 125

물리화학적 성질

끓는 점: 193 · 193.0±9.0 °C(Predicted)
밀도: 1.052 · 1.052±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.