Benzene, 1,2-dichloro-4-iodo-

HCID 88591CAS 20555-91-3

기본 정보

표준 SMILES: Clc1ccc(I)cc1Cl
InChIKey: NADPFZNWCQIJJW-UHFFFAOYSA-N
분자식: C6H3Cl2I
평균 분자량: 272.89 g/mol
단동위원소 질량: 271.86565346

이름 및 식별자

우선 이름: Benzene, 1,2-dichloro-4-iodo-
IUPAC: 1,2-dichloro-4-iodobenzene
영어명: 3,4-Dichloroiodobenzene
분자식: C6H3Cl2I
분자량: 272.9

이름 및 동의어

1,2-Dichloro-4-iodobenzeneBenzene, 1,2-dichloro-4-iodo-EINECS 243-874-0DTXSID9066625RefChem:117288DTXCID0036342243-874-0NADPFZNWCQIJJW-UHFFFAOYSA-N20555-91-33,4-Dichloroiodobenzene3,4-dichloro-1-iodobenzeneMFCD00019014

이름 더 보기

4-Iodo-o-dichlorobenzene3,4-Dichlorophenyl iodide1,2-dichloro-4-iodo-benzen3,4-Dichloroiodobenzene 99%3,4-Dichloroiodobenzene,98%Benzene,1,2-dichloro-4-iodo-1,2-Dichloro-4-iodobenzene >

M6AU4ABW4L1,2-dichloro-5-iodobenzeneSCHEMBL805651,2-dichloro-4-iodo-benzeneAC-9702Z401315340Maybridge1_001437AM61836

데이터베이스 식별자

CAS: 20555-91-3
PubChem CID: 88591
DTXSID: DTXSID9066625
UNII: M6AU4ABW4L
EC Number: 243-874-0
Nikkaji: J208.352C

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 27 · 27-29 °C (lit.)
끓는 점: 116 · 116-118 °C (12 mmHg)
밀도: 1.9882 · 1.9882 (estimate)
굴절률: 1.648 · 1.6480
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Yellow
BRN: 2245136 · 2245136
InChI: 1S/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChIKey: NADPFZNWCQIJJW-UHFFFAOYSA-N
SMILES: Clc1ccc(I)cc1Cl
EPA: 1 · Benzene, 1,2-dichloro-4-iodo- (20555-91-3)

화학적 성질

beige low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (68.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 19 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (68.4%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29039990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 37/39-26-36/37/39
위험 참고 사항: Irritant/Light Sensitive
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1,2-dichloro-4-iodo-: ACTIVE

응용 분야

용도3,4-Dichloroiodobenzene may be used in the preparation of:tetrachloromethoxybiphenyls 1-(3,4-dichlorophenyl)-2-trimethylsilylacetylene2-(3,4-dichlorocinnamyl)isoindoline-1,3-dione

일반 설명3,4-Dichloroiodobenzene undergoes Stille coupling reaction with vinyltributyltin in the presence of Pd(0)precursors to furnish styrene derivative.