5-Fluoro-2-methylbenzenesulphonyl chloride

HCID 136286

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 445-05-6
표준 SMILES: Cc1ccc(F)cc1S(=O)(=O)Cl
InChIKey: NPEWBMJAUUSBLE-UHFFFAOYSA-N
분자식: C7H6ClFO2S
평균 분자량: 208.64 g/mol
단동위원소 질량: 207.97610633

이름 및 식별자

우선 이름: 5-Fluoro-2-methylbenzenesulphonyl chloride
IUPAC: 5-fluoro-2-methylbenzenesulfonyl chloride
영어명: 5-FLUORO-2-METHYLBENZENESULFONYL CHLORIDE
분자식: C7H6ClFO2S
분자량: 208.64

이름 및 동의어

445-05-65-Fluoro-2-methylbenzenesulphonyl chlorideDTXSID80196197RefChem:102630DTXCID90118688NPEWBMJAUUSBLE-UHFFFAOYSA-N5-Fluoro-2-methylbenzenesulfonyl chloride5-fluoro-2-methylbenzene-1-sulfonyl chloride5-fluoro-2-methyl-benzenesulfonyl chlorideMFCD000529585-fluoro-2-methylbenzenesulfonylchlorideBenzenesulfonyl chloride, 5-fluoro-2-methyl-

이름 더 보기

2-(Chlorosulphonyl)-4-fluorotoluene5-FLUORO-O-TOLUENESULFONYL CHLORIDE5-Fluoro-o-toluenesulphonyl chloride-FLUORO-2-METHYLBENZENESULFONYL CHLORIDE2-methyl-5-fluorobenzene sulphonyl chloride5-Fluoro-2-methylbenzenesulfonylchloride,97%5-Fluoro-2-methylbenzenesulphonylchloride97%

chloro(5-fluoro-2-methylphenyl)sulfone2-METHYL-5-FLUOROBENZENESULFONYL CHLORIDESCHEMBL533075SCHEMBL31674581ALBB-001004SBB046741STK502397AKOS000145119

데이터베이스 식별자

CAS: 445-05-6
PubChem CID: 136286
DTXSID: DTXSID80196197
EC Number: 626-483-3
Nikkaji: J2.491.441K

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 247

물리화학적 성질

녹는점: 123 · 123-125 °C
끓는 점: 62 °C · 62 °C (0.2 mmHg)
밀도: 1.423 g/mL · 1.423 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5355(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Storage temp. 2-8°C
BRN: 2643541 · 2643541
InChI: 1S/C7H6ClFO2S/c1-5-2-3-6(9)4-7(5)12(8,10)11/h2-4H,1H3
InChIKey: NPEWBMJAUUSBLE-UHFFFAOYSA-N
SMILES: Cc1ccc(F)cc1S(Cl)(=O)=O

화학적 성질

clear colorless to yellow 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, 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.