4-(Bromomethyl)benzenesulfonyl chloride

HCID 2734409CAS 66176-39-4

기본 정보

표준 SMILES: O=S(=O)(Cl)c1ccc(CBr)cc1
InChIKey: QXTQWYZHHMQSQH-UHFFFAOYSA-N
분자식: C7H6BrClO2S
평균 분자량: 269.54 g/mol
단동위원소 질량: 267.89604021

이름 및 식별자

우선 이름: 4-(Bromomethyl)benzenesulfonyl chloride
IUPAC: 4-(bromomethyl)benzenesulfonyl chloride
영어명: alpha-Bromo-p-toluenesulphonyl chloride
분자식: C7H6BrClO2S
분자량: 269.54

이름 및 동의어

4-(Bromomethyl)benzenesulfonyl chloride66176-39-4DTXSID00370290RefChem:288629DTXCID80321326627-352-34-(bromomethyl)benzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 4-(bromomethyl)-MFCD00156129alpha-Bromo-p-toluenesulfonyl chloride4-(bromomethyl)benzenesulfonylchloride[4-(bromomethyl)phenyl]chlorosulfone

이름 더 보기

BUTTPARK 94\04-084-Bromomethylbenzenesulfonyl c4-(Chlorosulphonyl)benzyl bromideα-bromo-p-toluenesulfonyl chlorideà-bromo-p-toluenesulfonyl chloridealpha-Bromo-p-toluenesulfonylchlorideALPHA-BROMO-P-TOLUENESULPHONYL CHLORIDE4-bromo methy benzene sulfonyl chloride4-(BROMOMETHYL)BENZENESULPHONYL CHLORIDE

4-(bromomethyl)benzene-1-sulfonylchlorideSCHEMBL2975184-(Chlorosulfonyl)benzyl bromide4-bromomethylphenylsulfonylchlorideALBB-008900STR04670SBB0496294-bromomethyl benzenesulfonyl chloride

데이터베이스 식별자

CAS: 66176-39-4
PubChem CID: 2734409
DTXSID: DTXSID00370290
EC Number: 627-352-3

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 226

물리화학적 성질

녹는점: 71 · 71-75 °C(lit.)
끓는 점: 160 · 160-170 °C
밀도: 1.6944 · 1.6944 (estimate)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 결정성 분말
색상: 황백색에서 밝은 노란색까지
BRN: 2364328 · 2364328
InChI: 1S/C7H6BrClO2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2
InChIKey: QXTQWYZHHMQSQH-UHFFFAOYSA-N
SMILES: ClS(=O)(=O)c1ccc(CBr)cc1

화학적 성질

off-white to light 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, 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 48 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29049090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도4-(Bromomethyl)benzenesulfonyl chloride may be used to synthesize:4-bromomethyl-N-(6-methoxy-quinolin-8-yl)-benzenesulfonamidebenzene-sulfonamide derivatives, which are potent Chemokine Receptor Type 4 (CXCR4) inhibitorsimidazole derivatives having antifungal activity