CAS 23860-35-7 Cyclohexylacetyl chloride (HCID 2757989)

기본 정보

CAS: 23860-35-7
표준 SMILES: O=C(Cl)CC1CCCCC1
InChIKey: VABYVFZVTIDNOA-UHFFFAOYSA-N
분자식: C8H13ClO
평균 분자량: 160.64 g/mol
단동위원소 질량: 160.06549272

이름 및 식별자

우선 이름: Cyclohexylacetyl chloride
IUPAC: 2-cyclohexylacetyl chloride
영어명: CYCLOHEXYLACETYL CHLORIDE 98
분자식: C8H13ClO
분자량: 160.64

이름 및 동의어

Cyclohexylacetyl chloride2-cyclohexylacetyl ChlorideCyclohexaneacetyl chlorideDTXSID20374114RefChem:580841DTXCID60325145607-279-3691-854-923860-35-7MFCD034247022-cyclohexylacetylchloridecyclohexyl-acetyl chloride

이름 더 보기

CYCLOHEXYLACETYL CHLORIDE 98CYCLOHEXYLACETYL CHLORIDE 98 ISO 9001：2015 REACH

cyclohexyl acetyl chloridecyclohexylacetic acid chloridecyclohexylacetylchloride2-cyclohexylethanoyl chloridealpha-cyclohexylacetyl chlorideCyclohexylacetyl chloride 98%SCHEMBL458819STR07395

데이터베이스 식별자

CAS: 23860-35-7
PubChem CID: 2757989
DTXSID: DTXSID20374114
EC Number: 607-279-3、691-854-9
Nikkaji: J2.346.440C

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 116

물리화학적 성질

끓는 점: 187 °F · 187 °F(lit.)
밀도: 1.047 g/mL · 1.047 g/mL at 25 °C(lit.)
인화점: 178 °F · 178 °F
InChI: 1S/C8H13ClO/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKey: VABYVFZVTIDNOA-UHFFFAOYSA-N
SMILES: ClC(=O)CC1CCCCC1

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

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

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

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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