2-Bromobenzenesulfonyl chloride

HCID 520403CAS 2905-25-1

기본 정보

표준 SMILES: O=S(=O)(Cl)c1ccccc1Br
InChIKey: VFPWGZNNRSQPBT-UHFFFAOYSA-N
분자식: C6H4BrClO2S
평균 분자량: 255.52 g/mol
단동위원소 질량: 253.88039015

이름 및 식별자

우선 이름: 2-Bromobenzenesulfonyl chloride
IUPAC: 2-bromobenzenesulfonyl chloride
영어명: 2-Bromobenzenesulphonyl chloride
분자식: C6H4BrClO2S
분자량: 255.52

이름 및 동의어

2-Bromobenzenesulfonyl chlorideRefChem:467206628-301-82905-25-12-Bromobenzenesulphonyl chloride2-Bromobenzene-1-Sulfonyl ChlorideBenzenesulfonyl chloride, 2-bromo-2-bromophenylsulfonyl chlorideMFCD000519712-bromo-benzenesulfonyl chloride(2-bromophenyl)chlorosulfone2-Bromobenzenesulphonylchloride

이름 더 보기

O-BROMOBENZENESULFONYL CHLORIDE2-bromob2-Bromobenzenesulfonyl2-BROMOSULFONYL CHLORIDE2-bromobeneze sulfonyl chloride2-Bromobenzenesulphony I chloride

Benzenesulfonyl chloride, bromo-Brombenzolsulfochloridbromobenzenesulfonyl chlorideSCHEMBL8071bromobenzene sulfonyl chloride28906-36-76-bromophenylsulfonyl chloride2-bromo-benzenesulfonylchloride

데이터베이스 식별자

CAS: 2905-25-1
PubChem CID: 520403
DTXSID: DTXSID00951644
EC Number: 628-301-8
Nikkaji: J2.440.443I

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 221

물리화학적 성질

녹는점: 49 · 49-52 °C (lit.)
끓는 점: 98 · 98-100°C (0.5 torr)
밀도: 1.791 · 1.7910 (estimate)
인화점: 127 · 127-128°C/2.4mm
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 결정성 분말
색상: 약간 노란색
BRN: 2692202 · 2692202
InChI: InChI=1S/C6H4BrClO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
InChIKey: VFPWGZNNRSQPBT-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=CC=C1Br
NIST: 2 · 2-Bromobenzenesulfonyl chloride(2905-25-1)

화학적 성질

slightly yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.