CAS 1550-27-2 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene (HCID 1547956)

기본 정보

CAS: 1550-27-2
표준 SMILES: O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Cl
InChIKey: BDIMBZRJVHLTPD-UHFFFAOYSA-N
분자식: C7H3ClF3NO4S
평균 분자량: 289.62 g/mol
단동위원소 질량: 288.9423409

이름 및 식별자

우선 이름: 1-Chloro-2-nitro-4-trifluoromethanesulfonylbenzene
IUPAC: 1-chloro-2-nitro-4-(trifluoromethylsulfonyl)benzene
현지명: 1-클로로-2-니트로-4-트리플루오로메탄술포닐-벤젠
영어명: 1-Chloro-2-nitro-4-trifluoromethanesulfonyl-benzene
분자식: C7H3ClF3NO4S
분자량: 289.62

이름 및 동의어

1-chloro-2-nitro-4-[(trifluoromethyl)sulfonyl]benzene1-chloro-2-nitro-4-((trifluoromethyl)sulfonyl)benzene1-chloro-2-nitro-4-trifluoromethanesulfonylbenzeneRefChem:431246872-398-11550-27-22-nitro-4-(trifluoromethylsulfonyl)chlorobenzene1-Chloro-2-nitro-4-trifluoromethanesulfonyl-benzene1-chloro-2-nitro-4-(trifluoromethylsulfonyl)benzeneMFCD00435125F0293-0022Benzene, 1-chloro-2-nitro-4-[(trifluoromethyl)sulfonyl]-

이름 더 보기

1-클로로-2-니트로-4-트리플루오로메탄술포닐-벤젠4-CHLORO-3-NITROPHENYL TRIFLUOROMETHYL SULFONE

SCHEMBL1368288DTXSID60364271SMSSF-0042802BBL018526STK370821AKOS000122243VS-06704DB-043251

데이터베이스 식별자

CAS: 1550-27-2
PubChem CID: 1547956
DTXSID: DTXSID60364271
EC Number

물성

구조 계산 물성

XLogP: 2.7
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: 55 · 55-56°C
끓는 점: 354.3 · 354.3±42.0 °C(Predicted)
밀도: 1.689 · 1.689±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

risk_code: 20/21/22
safety_code: 23-36/37/39

화학 및 산업

응용 분야

용도1-Chloro-2-nitro-4-[(trifluoromethyl)sulfonyl]benzene is used in preparation of BET-protein-inhibiting Dihydropyridopyrazinone useful in the treatment of Hyperproliferative diseases.