CAS 129716-11-6 4-Chloro-2-methylbenzyl Alcohol (HCID 2757669)

기본 정보

CAS: 129716-11-6
표준 SMILES: Cc1cc(Cl)ccc1CO
InChIKey: AHXBDGJNZJKLNE-UHFFFAOYSA-N
분자식: C8H9ClO
평균 분자량: 156.61 g/mol
단동위원소 질량: 156.03419259

이름 및 식별자

우선 이름: 4-Chloro-2-methylbenzyl Alcohol
IUPAC: (4-chloro-2-methylphenyl)methanol
현지명: 4-클로로-2-메틸벤질알코올97
영어명: 4-CHLORO-2-METHYLBENZYL ALCOHOL 97
분자식: C8H9ClO
분자량: 156.61

이름 및 동의어

129716-11-64-Chloro-2-methylbenzyl alcoholDTXSID30373996RefChem:98385DTXCID00325028625-731-8AHXBDGJNZJKLNE-UHFFFAOYSA-N(4-chloro-2-methylphenyl)methanolBenzenemethanol, 4-chloro-2-methyl-MFCD062011404-CHLORO-2-METHYLBENZYL ALCOHOL 97(4-Chloro-2-methyl-phenyl)-methanol

이름 더 보기

4-클로로-2-메틸벤질알코올972-Methyl-4-chlorobenzyl alcohol4-CHLORO-2-METHYLBENZYL ALCOHOL 97(4-Chloro-2-methylphenyl)methanol - [C89786]

AKOS0063377484-Chloro-2-methylbenzyl alcohol, 97%C3069T70197A888829SCHEMBL1096478SCHEMBL8483941SCHEMBL11518880

데이터베이스 식별자

CAS: 129716-11-6
PubChem CID: 2757669
DTXSID: DTXSID30373996
EC Number: 625-731-8

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 60 · 60-64 °C(lit.)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: 1S/C8H9ClO/c1-6-4-8(9)3-2-7(6)5-10/h2-4,10H,5H2,1H3
InChIKey: AHXBDGJNZJKLNE-UHFFFAOYSA-N
SMILES: Cc1cc(Cl)ccc1CO

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.