4-(Propan-2-yl)benzene-1-sulfonyl chloride

HCID 2734882

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 54997-90-9
표준 SMILES: CC(C)c1ccc(S(=O)(=O)Cl)cc1
InChIKey: CETRNHJIXGITKR-UHFFFAOYSA-N
분자식: C9H11ClO2S
평균 분자량: 218.7 g/mol
단동위원소 질량: 218.01682827

이름 및 식별자

우선 이름: 4-(Propan-2-yl)benzene-1-sulfonyl chloride
IUPAC: 4-propan-2-ylbenzenesulfonyl chloride
영어명: 4-ISOPROPYLBENZENESULFONYL CHLORIDE
분자식: C9H11ClO2S
분자량: 218.7

이름 및 동의어

4-(Propan-2-Yl)Benzene-1-Sulfonyl ChlorideRefChem:516772629-255-14-Isopropylbenzenesulfonyl chloride54997-90-94-propan-2-ylbenzenesulfonyl Chloride4-isopropylbenzene-1-sulfonyl chlorideMFCD00041510Benzenesulfonyl chloride, 4-(1-methylethyl)-4-(propan-2-yl)benzenesulfonyl chloride4-iso-propylbenzenesulfonyl chloride4-IsopropylbenzenesulfonylChloride

이름 더 보기

AKOS B019384ART-CHEM-BB B0193844-ISOPROPYLBENZENESUCumene-4-sulfonylchlorideCumene-4-sulphonyl chloride4-Isopropylbenzenesulfonyl chp-Isopropylbenzenesulfonylchloride4-Isopropyl Benzensulfonyl Chloride4-ISOPROPYLBENZENESULPHONYL CHLORIDE

chloro[4-(methylethyl)phenyl]sulfone4-isopropyl benzenesulfonyl chloride4-isopropylbenzensulfonylchloride4-isopropylphenylsulfonyl chloridep-Isopropylbenzenesulfonyl chloride4-isopropyl-benzenesulfonylchloride4-isopropyl-phenylsulfonyl chloride4-Isopropyl-benzenesulfonyl chloride

데이터베이스 식별자

CAS: 54997-90-9
PubChem CID: 2734882
DTXSID: DTXSID40370552
EC Number: 629-255-1
Nikkaji: J578.941I

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 245

물리화학적 성질

녹는점: 51 · 51-52 °C
끓는 점: 142 · 142-143 °C (12 mmHg)
밀도: 1.22 g/mL · 1.220 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5410(lit.)
인화점: 143 °F · 143 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 저융점 고체
색상: Light orange/brown
BRN: 1103862 · 1103862
InChI: 1S/C9H11ClO2S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3
InChIKey: CETRNHJIXGITKR-UHFFFAOYSA-N
SMILES: CC(C)c1ccc(cc1)S(Cl)(=O)=O

화학적 성질

clear yellow to orange liquid

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 47 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29049090
risk_code: 34-29
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive/Moisture Sensitive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도4-Isopropylbenzenesulfonyl chloride may be used to synthesize chlorosulfonyl-functionalized ATRP (Atom transfer radical polymerization) initiator and 4-isopropylbenzenethiol.

일반 설명4-Isopropylbenzenesulfonyl chloride can be synthesized from isopropylbenzene via chlorosulfonation.