4-(Bromomethyl)-1,2-dichlorobenzene

HCID 639726CAS 18880-04-1

기본 정보

표준 SMILES: Clc1ccc(CBr)cc1Cl
InChIKey: XLWSBDFQAJXCQX-UHFFFAOYSA-N
분자식: C7H5BrCl2
평균 분자량: 239.92 g/mol
단동위원소 질량: 237.89516762

이름 및 식별자

우선 이름: 4-(Bromomethyl)-1,2-dichlorobenzene
IUPAC: 4-(bromomethyl)-1,2-dichlorobenzene
영어명: 3,4-Dichlorobenzyl bromide
분자식: C7H5BrCl2
분자량: 239.92

이름 및 동의어

3,4-Dichlorobenzyl bromide18880-04-14-(bromomethyl)-1,2-dichlorobenzenebenzene, 4-(bromomethyl)-1,2-dichloro-DTXSID50348666RefChem:515299DTXCID80299738625-144-7InChI=1/C7H5BrCl2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H3,4-dichlorobenzylbromideMFCD000413631,2-dichloro-4-(bromomethyl)benzene

이름 더 보기

TIMTEC-BB SBB0057633,4-Dichlorobenzyl bAdenosine Impurity 41à-bromo-3,4-dichlorotolueneα-Bromo-3,4-dichlorotoluene3,4-Dichlorobenzylbromide97%3,4-DichlorobenzylBromide>3,4-Dichlorobenzyl bromide 97%

3,4 dichlorobenzyl bromideSCHEMBL101283,4-Dichloro-benzyl bromideSCHEMBL11123079SCHEMBL29413271XLWSBDFQAJXCQX-UHFFFAOYSA-N4-bromomethyl-1,2-dichlorobenzene3,4-Dichlorobenzyl bromide, 97%

데이터베이스 식별자

CAS: 18880-04-1
PubChem CID: 639726
DTXSID: DTXSID50348666
EC Number: 625-144-7
Nikkaji: J307.721G

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

녹는점: 19 °C · 19 °C
끓는 점: 115 · 115-120 °C (1 mmHg)
밀도: 1.65 · 1.650
굴절률: 1.605 · 1.605-1.607
인화점: 110 °C · 110 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
색상: 무색투명~갈색
수용성: 물에 불용성.
BRN: 742579 · 742579
InChI: 1S/C7H5BrCl2/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey: XLWSBDFQAJXCQX-UHFFFAOYSA-N
SMILES: Clc1ccc(CBr)cc1Cl

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (85.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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. 3 (85.1%)

안전 데이터

wgk: 3
ridadr: 1760
HS 번호: 29039990
risk_code: 34-22
hazard_code: C,T,N
safety_code: 45-36/37/39-25-61-26
포장분류: II
위험 등급: 8
위험 참고 사항: Toxic/Corrosive/Lachrymatory
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 4Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야

용도3,4-Dichlorobenzyl bromide is used as a pharmaceutical intermediate. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.