Benzoyl chloride, 3,4-dichloro-

HCID 76403CAS 3024-72-4

기본 정보

표준 SMILES: O=C(Cl)c1ccc(Cl)c(Cl)c1
InChIKey: VTXNOVCTHUBABW-UHFFFAOYSA-N
분자식: C7H3Cl3O
평균 분자량: 209.5 g/mol
단동위원소 질량: 207.92494776

이름 및 식별자

우선 이름: Benzoyl chloride, 3,4-dichloro-
IUPAC: 3,4-dichlorobenzoyl chloride
영어명: 3,4-Dichlorobenzoyl chloride
분자식: C7H3Cl3O
분자량: 209.46

이름 및 동의어

3,4-Dichlorobenzoyl chloride3024-72-4Benzoyl chloride, 3,4-dichloro-EINECS 221-177-2AI3-14891DTXSID2062793RefChem:566452DTXCID2038156221-177-23,4-DichlorobenzoylchlorideMFCD000006723,4-dichloro-benzoyl chloride

이름 더 보기

3,4-DCOC3,4-Dichlorobenzoyl3,4-dichloro-benzoylchlorid3, 4-Dichlorobenzoil chloride3,4- twochloro benzoyl chloride3,4-dichlorobenzeneformylchloro3,4-Dichlorobenzoyl chloride,97%3,4-Dichlorobenzoyl Chloride >

3,4-dichloro-1-benzenecarbonyl chloride3,4-dichloro benzoyl chlorideSY2S6RQL6Y3,4dichlorobenzoyl chloride3,4-dichlorobenzoyl-chlorideSCHEMBL110094SCHEMBL29514652CAA90560

데이터베이스 식별자

CAS: 3024-72-4
PubChem CID: 76403
DTXSID: DTXSID2062793
UNII: SY2S6RQL6Y
EC Number: 221-177-2
Nikkaji: J149.673E

물성

구조 계산 물성

XLogP: 4.4
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: 160

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 30 · 30-33 °C (lit.)
끓는 점: 242 °C · 242 °C (lit.)
밀도: 1.5078 · 1.5078 (estimate)
인화점: 288 °F · 288 °F
저장 조건: 2 · Storage temp. 2-8°C
용해도: Chloroform (Soluble)
물리적 상태: 결정질 저융점 고체
색상: 흰색에서 노란색으로
BRN: 607485 · 607485
안정성: 흡습성, 수분 민감성
InChI: 1S/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H
InChIKey: VTXNOVCTHUBABW-UHFFFAOYSA-N
SMILES: ClC(=O)c1ccc(Cl)c(Cl)c1
NIST: 3 · Benzoyl chloride, 3,4-dichloro-(3024-72-4)
EPA: 3 · Benzoyl chloride, 3,4-dichloro- (3024-72-4)

화학적 성질

white to yellowish crystalline low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 94 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: Benzoyl chloride, 3,4-dichloro-

Hazard Classes and CategoriesSkin Corr. 1C (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
HS 번호: 29163990
risk_code: 34
hazard_code: C
safety_code: 26-27-28-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 10-21-19
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoyl chloride, 3,4-dichloro-: ACTIVE

응용 분야

일반 설명3,4-Dichlorobenzoyl chloride was used in the synthesis of 3,4-dichlorophenylacetic acid by Arndt-Eistert method. It is prepared by refluxing 3,4-dichlorobenzoic acid with thionyl chloride.