3-(삼불화산화물)벤진설포닐염화물

3-(Trifluoromethoxy)benzene-1-sulfonyl chloride

HCID 2777218

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 220227-84-9
표준 SMILES: O=S(=O)(Cl)c1cccc(OC(F)(F)F)c1
InChIKey: DODDSXTWDSJCDN-UHFFFAOYSA-N
분자식: C7H4ClF3O3S
평균 분자량: 260.62 g/mol
단동위원소 질량: 259.95217733

이름 및 식별자

우선 이름: 3-(Trifluoromethoxy)benzene-1-sulfonyl chloride
IUPAC: 3-(trifluoromethoxy)benzenesulfonyl chloride
현지명: 3-(삼불화산화물)벤진설포닐염화물
영어명: 3-(Trifluoromethoxy)benzenesulfonyl chloride
분자식: C7H4ClF3O3S
분자량: 260.62

이름 및 동의어

3-(trifluoromethoxy)benzene-1-sulfonyl chlorideRefChem:496296624-326-3220227-84-93-(Trifluoromethoxy)benzenesulfonyl chlorideMFCD010910163-(TRIFLUOROMETHOXY)BENZENESULPHONYL CHLORIDE3-trifluoromethoxybenzenesulfonylchlorideSCHEMBL4429103-trifluoromethoxy-benzenesulfonyl chloride3-(trifluoromethoxy)-benzenesulfonyl chloride3-[(trifluoromethyl)oxy]benzenesulfonyl chloride

이름 더 보기

3-(삼불화산화물)벤진설포닐염화물3-(Trifluoromethoxy)benze3-(TRIFLUOROMETHOXY)BENZENESULFONYL &M-trifluoromethoxybenzenesulfonyl chloride3-(tifluoromethoxy)benzenesulfonyl chloride3-(Trifluoromethoxy)benzenesulphonylchloride97%3-(Trifluoromethoxy)benzenesulfonyl chloride 97%

PS-108533-(Trifluoromethoxy)phenylsulfonyl chlorideBenzenesulfonyl chloride, 3-(trifluoromethoxy)-A815840DTXSID40380419BBL100503SBB066474AKOS000200666

데이터베이스 식별자

CAS: 220227-84-9
PubChem CID: 2777218
DTXSID: DTXSID40380419
EC Number: 624-326-3

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 308

물리화학적 성질

녹는점: 229 · 229-230℃
끓는 점: 229 · 229-230 °C(lit.)
밀도: 1.53 g/mL · 1.530 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4760(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
InChI: 1S/C7H4ClF3O3S/c8-15(12,13)6-3-1-2-5(4-6)14-7(9,10)11/h1-4H
InChIKey: DODDSXTWDSJCDN-UHFFFAOYSA-N
SMILES: FC(F)(F)Oc1cccc(c1)S(Cl)(=O)=O

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.