2,2-Difluoroethenyl 4-methylbenzene-1-sulfonate

HCID 10977366CAS 185739-14-4

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)OC=C(F)F)cc1
InChIKey: ZQLLPWMNXQYESO-UHFFFAOYSA-N
분자식: C9H8F2O3S
평균 분자량: 234.22 g/mol
단동위원소 질량: 234.01622156

이름 및 식별자

우선 이름: 2,2-Difluoroethenyl 4-methylbenzene-1-sulfonate
IUPAC: 2,2-difluoroethenyl 4-methylbenzenesulfonate
영어명: 2,2-DIFLUOROETHENYL 4-METHYLBENZENE-1-SULFONATE
분자식: C9H8F2O3S
분자량: 234.22

이름 및 동의어

185739-14-42,2-difluoroethenyl 4-methylbenzene-1-sulfonateRefChem:441156851-979-32,2-Difluorovinyl 4-methylbenzenesulfonate2,2-difluoroethenyl 4-methylbenzenesulfonateMFCD279465672,2-difluorovinyl tosylateC9H8F2O3S2,2-Difluoroethenyl-4-methylbenzenesulfonate2,2-di-fluorovinyltosylateToluene-4-sulfonic acid 2,2-difluoro-vinyl ester

이름 더 보기

Ethenol, 2,2-difluoro-, 1-(4-methylbenzenesulfonate)

2,2-difluoroethenyl tosylate2,2-Difluoro-vinyl TosylateSCHEMBL343964DTXSID601382570KHA73914AKOS040768317AT27893BS-52555

데이터베이스 식별자

CAS: 185739-14-4
PubChem CID: 10977366
DTXSID: DTXSID601382570
EC Number: 851-979-3
Nikkaji: J973.667K

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 320

물리화학적 성질

끓는 점: 267.2 · 267.2±40.0 °C(Predicted)
밀도: 1.34 · 1.340±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.