CAS 42908-86-1 2-(Chloromethyl)benzoyl chloride (HCID 3016395)

기본 정보

CAS: 42908-86-1
표준 SMILES: O=C(Cl)c1ccccc1CCl
InChIKey: TXZFBHYDQGYOIT-UHFFFAOYSA-N
분자식: C8H6Cl2O
평균 분자량: 189.04 g/mol
단동위원소 질량: 187.97957017

이름 및 식별자

우선 이름: 2-(Chloromethyl)benzoyl chloride
IUPAC: 2-(chloromethyl)benzoyl chloride
현지명: 2-(클로로메틸)벤조일클로라이드
영어명: 2-(Chloromethyl)benzoyl chloride
분자식: C8H6Cl2O
분자량: 189.04

이름 및 동의어

2-(Chloromethyl)benzoyl chloride42908-86-1EINECS 255-998-2DTXSID10195557RefChem:84640DTXCID50118048255-998-2BENZOYL CHLORIDE, 2-(CHLOROMETHYL)-2-chloromethyl-benzoyl chlorideMFCD00152348chloromethylbenzoyl chloride2-Chloromethylbenzoyl chloride

이름 더 보기

2-(클로로메틸)벤조일클로라이드SKL1256α-Chloro-o-toluoyl chloride2-(Chloromethyl)benzoic acid chloride

O-(Chloromethyl)BenzoylChloride2-(chloromethyl)-benzoyl chlorideO-(CHLOROMETHYL)BENZOYL CHLORIDEchloromethyl-benzoylchlorideo-chloromethylbenzoyl chlorideSCHEMBL152624o-chloromethyl benzoyl chloride2-(Chloromethyl)benzoylchloride

데이터베이스 식별자

CAS: 42908-86-1
PubChem CID: 3016395
DTXSID: DTXSID10195557
EC Number: 255-998-2
Nikkaji: J267.320G

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 17 °C · 17°C(lit.)
끓는 점: 265 °C · 265°C(lit.)
밀도: 1.317 · 1.317±0.06 g/cm3(Predicted)
굴절률: 1.576 to · 1.5760 to 1.5800
물리적 상태: 투명한 액체
색상: 무색~연황색
BRN: 1940781 · 1940781
InChI: 1S/C8H6Cl2O/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2
InChIKey: TXZFBHYDQGYOIT-UHFFFAOYSA-N
SMILES: ClCc1ccccc1C(Cl)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)

안전 데이터

wgk: 3
ridadr: UN 2927 8(6.1) / PGII
HS 번호: 2916310090
risk_code: 22-23-34-40
hazard_code: T
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 4 OralCarc. 2Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials