(1,1'-Biphenyl)-4-sulphonyl chloride

HCID 74192CAS 1623-93-4

기본 정보

표준 SMILES: O=S(=O)(Cl)c1ccc(-c2ccccc2)cc1
InChIKey: ALBQXDHCMLLQMB-UHFFFAOYSA-N
분자식: C12H9ClO2S
평균 분자량: 252.72 g/mol
단동위원소 질량: 252.00117821

이름 및 식별자

우선 이름: (1,1'-Biphenyl)-4-sulphonyl chloride
IUPAC: 4-phenylbenzenesulfonyl chloride
영어명: 4-BIPHENYLSULFONYL CHLORIDE
분자식: C12H9ClO2S
분자량: 252.72

이름 및 동의어

1623-93-4[1,1'-Biphenyl]-4-sulfonyl chloride(1,1'-Biphenyl)-4-sulphonyl chlorideEINECS 216-609-1DTXSID30167352(1,1'-Biphenyl)-4-sulfonyl chloride[1,1'-biphenyl]-4-sulphonyl chlorideRefChem:391133DTXCID1089843216-609-14-Biphenylsulfonyl ChlorideBiphenyl-4-sulfonyl chloride

이름 더 보기

SALOR-INT L301086-1EADiphenyl sulfonyl chloridep-Biphenylsulfonyl chloride4-BIPHENYLSULPHONYL CHLORIDE(4-Biphenylyl)sulfonyl chloride4-Biphenylsulfonyl Chloride >

4-Phenylbenzenesulfonyl chlorideC12H9ClO2S4-(Chlorosulfonyl)biphenyl[1,1'-biphenyl]-4-sulfonylchlorideMFCD00078658biphenyl-4-sulfonylchlorideBiphenyl-4-sulphonyl chloride1,1'-biphenyl-4-sulfonyl chloride

데이터베이스 식별자

CAS: 1623-93-4
PubChem CID: 74192
DTXSID: DTXSID30167352
UNII: A89GAW486V
EC Number: 216-609-1
Nikkaji: J195.251J

물성

구조 계산 물성

XLogP: 4
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 306

물리화학적 성질

녹는점: 103 · 103-108 °C(lit.)
끓는 점: 200 · 200-205°C 6mm
밀도: 1.32 · 1.320±0.06 g/cm3(Predicted)
인화점: 200 · 200-205°C/6mm
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 50 mg/mL · DMSO: 50 mg/mL (197.85 mM);;
물리적 상태: 결정성 분말
색상: 하얀색
수용성: 물과 반응합니다.
BRN: 2694373 · 2694373
InChI: InChI=1S/C12H9ClO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey: ALBQXDHCMLLQMB-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=C(S(Cl)(=O)=O)C=C1

화학적 성질

White 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29049090
risk_code: 14-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 10-21
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도Reactant for:• ;Preparation of anilinopyrimidinesulfonamides as potential anticancer agents1• ;Synthesis of inhibitors of the hypoxia inducible factor pathway2• ;Preparation of hydroxy-sulfonyl-piperidinyl butyramides as HDAC inhibitors and potential antitumors3• ;Palladium-catalyzed desulfitative C-arylation4