2-니트로-4-(트리플루오로메틸)벤젠설포닐클로라이드

2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride

HCID 2775780

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 837-95-6
표준 SMILES: O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)Cl
InChIKey: KXEMVGQZZLRLBE-UHFFFAOYSA-N
분자식: C7H3ClF3NO4S
평균 분자량: 289.62 g/mol
단동위원소 질량: 288.94234092

이름 및 식별자

우선 이름: 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride
IUPAC: 2-nitro-4-(trifluoromethyl)benzenesulfonyl chloride
현지명: 2-니트로-4-(트리플루오로메틸)벤젠설포닐클로라이드
영어명: 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride
분자식: C7H3ClF3NO4S
분자량: 289.62

이름 및 동의어

2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chlorideRefChem:477153625-901-1837-95-62-Nitro-4-(trifluoromethyl)benzenesulfonyl chlorideMFCD000134562-nitro-4-(trifluoromethyl)benzenesulfonylchloride2-nitro-4-(trifluoromethyl)benzenesulphonyl chloride2-nitro-4-trifluoromethylbenzenesulfonyl chlorideSCHEMBL2004631DTXSID90379691CK2491

이름 더 보기

2-니트로-4-(트리플루오로메틸)벤젠설포닐클로라이드2-nitro-4-(trifluoromethyl)benzene-sulfonylchlorBenzenesulfonyl chloride, 2-nitro-4-(trifluoromethyl)-2-Nitro-4-(trifluoromethyl)benzenesulphonylchloride98%2-Nitro-4-(trifluoromethyl)benzenesulphonyl chloride 98%4-(Chlorosulphonyl)-3-nitrobenzotrifluoride, 2-(Chlorosulphonyl)-5-(trifluoromethyl)nitrobenzene

AKOS000145354PS-108142-Nitro-4-(trifluoromethyl)benzenesulfonyl4-(Chlorosulfonyl)-3-nitrobenzotrifluorideDB-056743CS-01571262-nitro-4-trifluromethylbenzenesulfonylchlorideEN300-216842

데이터베이스 식별자

CAS: 837-95-6
PubChem CID: 2775780
DTXSID: DTXSID90379691
EC Number: 625-901-1
Nikkaji: J3.704.052E

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 88.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 399

물리화학적 성질

녹는점: 42 · 42-44 °C (lit.)
끓는 점: 325.1 · 325.1±42.0 °C(Predicted)
밀도: 1.689 · 1.689±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 가루
색상: 회백색
BRN: 2663805 · 2663805
InChI: 1S/C7H3ClF3NO4S/c8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14/h1-3H
InChIKey: KXEMVGQZZLRLBE-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(ccc1S(Cl)(=O)=O)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, 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. Each notification may be associated with multiple companies.