1-메틸-3-(트리플루오로메틸)-1H-피라졸-4-설포닐클로라이드

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride

HCID 2794561

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 519056-67-8
표준 SMILES: Cn1cc(S(=O)(=O)Cl)c(C(F)(F)F)n1
InChIKey: HJFWSNIHZZKYIK-UHFFFAOYSA-N
분자식: C5H4ClF3N2O2S
평균 분자량: 248.61 g/mol
단동위원소 질량: 247.96341071

이름 및 식별자

우선 이름: 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
IUPAC: 1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl chloride
현지명: 1-메틸-3-(트리플루오로메틸)-1H-피라졸-4-설포닐클로라이드
영어명: 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
분자식: C5H4ClF3N2O2S
분자량: 248.61

이름 및 동의어

1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride519056-67-8DTXSID70383216RefChem:76266DTXCID90334240959-984-31-methyl-3-(trifluoromethyl)pyrazole-4-sulfonyl ChlorideMFCD041153681-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonylchlorideSCHEMBL3912711H-Pyrazole-4-sulfonyl chloride, 1-methyl-3-(trifluoromethyl)-SBB073402

이름 더 보기

1-메틸-3-(트리플루오로메틸)-1H-피라졸-4-설포닐클로라이드1-Methyl-3-(trifluoroMethyl)-1H-pyrazole sulphonyl1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-sulfonyl chloride1H-Pyrazole-4-sulfonylchloride,1-methyl-3-(trifluoromethyl)-(9CI)

AKOS005169216AS-0260FD10464SY198054DB-014406CS-0215115EN300-223670F329472

데이터베이스 식별자

CAS: 519056-67-8
PubChem CID: 2794561
DTXSID: DTXSID70383216
EC Number: 959-984-3

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 60.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 312

물리화학적 성질

녹는점: 34 °C · 34 °C
끓는 점: 302.5 · 302.5±42.0 °C(Predicted)
밀도: 1.73 · 1.73±0.1 g/cm3(Predicted)
산도 계수 (pKa): -6.29 · -6.29±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (50%): 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+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.