3,5-Dimethylbenzoyl Chloride (HCID 81088)

이름 및 식별자

우선 이름: 3,5-Dimethylbenzoyl Chloride
IUPAC: 3,5-dimethylbenzoyl chloride
영어명: 3,5-Dimethylbenzoyl chloride
분자식: C9H9ClO
분자량: 168.62

이름 및 동의어

3,5-Dimethylbenzoyl chlorideBenzoyl chloride, 3,5-dimethyl-DTXSID4064420EC 413-010-9RefChem:91599DTXCID5044730413-010-9638-967-16613-44-13,5-dimethylbenzoylchlorideMFCD023137423,5-Dimethyl Benzoyl Chloride

이름 더 보기

m-xylene-5-ca3,5-Dimethylbenzoyl3,5-dimethyl-benzoylchlorid3,5-DimethylbenzoicChlorideBenzoylchloride,3,5-dimethyl-3,5-DimethylbenzoylChloride>3,5- two Methylbenzoyl chloride3,5-Dimethylbenzoic acid chloride

m-Xylene-5-carbonyl ChlorideBA6ZUK53GS3,5 dimethylbenzoyl chloride3.5-dimethylbenzoyl chlorideSCHEMBL3470923,5-Dimethyl-benzoyl chlorideSBB067894AKOS009217951

데이터베이스 식별자

CAS: 6613-44-1
PubChem CID: 81088
DTXSID: DTXSID4064420
UNII: BA6ZUK53GS
EC Number: 413-010-9、638-967-1
Nikkaji: J421.824H

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

물리화학적 성질

끓는 점: 127 °C · 127 °C / 20mmHg
밀도: 1.14 · 1.14
증기압: 5.2 Pa · 5.2Pa at 25℃
굴절률: 1.544 · 1.5440-1.5480
물리적 상태: 투명한 액체
색상: 무색~연황색
InChI: InChI=1S/C9H9ClO/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3
InChIKey: ZJIOBDJEKDUUCI-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC(C)=CC(C)=C1
LogP: 2.85 · 2.85
EPA: 3 · Benzoyl chloride, 3,5-dimethyl- (6613-44-1)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)