2,6-디메틸벤조일클로라이드

2,6-Dimethylbenzoyl chloride

HCID 89096CAS 21900-37-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc(C)c1C(=O)Cl
InChIKey: CFLAYISSADVCJH-UHFFFAOYSA-N
분자식: C9H9ClO
평균 분자량: 168.62 g/mol
단동위원소 질량: 168.03419259

이름 및 식별자

우선 이름: 2,6-Dimethylbenzoyl chloride
IUPAC: 2,6-dimethylbenzoyl chloride
현지명: 2,6-디메틸벤조일클로라이드
영어명: 2,6-dimethylbenzoyl chloride
분자식: C9H9ClO
분자량: 168.62

이름 및 동의어

2,6-Dimethylbenzoyl chloride21900-37-8Benzoyl chloride, 2,6-dimethyl-WQM56Y8NEQDTXSID20176312EINECS 244-646-3RefChem:83310DTXCID4098803244-646-3Benzoyl chloride,2,6-dimethyl-MFCD000528542,6-dimethyl-benzoyl chloride

이름 더 보기

2,6-디메틸벤조일클로라이드2,6-DIMETHYLBENZOYL CHLORIDE 95%2,6-Dimethylbenzoic acid chlorideBenzoyl chloride, 2,6-dimethyl- (6CI,7CI,8CI,9CI)Benzenesulfonylchloride,3-(1,1-dimethylethyl)-8-methoxy-

2,6-dimethylbenzoylchlorideSCHEMBL247778AKOS006275393FS-4779UNII-WQM56Y8NEQ2, 6-dimethylbenzoyl chloride2,6 dimethyl benzoyl chloride2,6-dimethyl benzoyl chloride

데이터베이스 식별자

CAS: 21900-37-8
PubChem CID: 89096
DTXSID: DTXSID20176312
UNII: WQM56Y8NEQ
EC Number: 244-646-3
Nikkaji: J225.476J

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 146

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 90 · 90-91 °C(Press: 13 Torr)
밀도: 1.136 · 1.136±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: solid
InChI: 1S/C9H9ClO/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3
InChIKey: CFLAYISSADVCJH-UHFFFAOYSA-N
SMILES: Cc1cccc(C)c1C(Cl)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

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