4-브로모-3-메틸-5-(트리플루오로메틸)-1H-피라졸

4-Bromo-3-methyl-5-(trifluoromethyl)pyrazole

HCID 2736430

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 60061-68-9
표준 SMILES: Cc1[nH]nc(C(F)(F)F)c1Br
InChIKey: PDSOUBXNWWZCNB-UHFFFAOYSA-N
분자식: C5H4BrF3N2
평균 분자량: 229 g/mol
단동위원소 질량: 227.95099489

이름 및 식별자

우선 이름: 4-Bromo-3-methyl-5-(trifluoromethyl)pyrazole
IUPAC: 4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole
현지명: 4-브로모-3-메틸-5-(트리플루오로메틸)-1H-피라졸
영어명: 4-Bromo-3-methyl-5-(trifluoromethyl)-1H-pyrazole
분자식: C5H4BrF3N2
분자량: 229

이름 및 동의어

4-Bromo-3-Methyl-5-(Trifluoromethyl)-1h-Pyrazole4-bromo-3-methyl-5-(trifluoromethyl)pyrazoleRefChem:519996641-342-660061-68-94-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole4-bromo-5-methyl-3-(trifluoromethyl)pyrazole4-Bromo-5-methyl-3-trifluoromethylpyrazoleMFCD080609514-Bromo-3-methyl-5-trifluoromethyl-1H-pyrazoleMFCD001202661H-Pyrazole, 4-bromo-3-methyl-5-(trifluoromethyl)-

이름 더 보기

4-브로모-3-메틸-5-(트리플루오로메틸)-1H-피라졸4-Bromo-3-methyl-5-(trifluoromethyl)pyrazole >1H-Pyrazole, 4-bromo-3-methyl-5-(trifluoromethyl)-

4-Bromo-5(3)-methyl-3(5)-(trifluoromethyl)pyrazole4-bromo-3-(trifluoromethyl)-5-(methyl)pyrazole4-Bromo-5-methyl-3-trifluoromethyl-1H-pyrazoleSCHEMBL316424SCHEMBL3402634SCHEMBL16910991SCHEMBL16911445DTXSID50371358

데이터베이스 식별자

CAS: 60061-68-9
PubChem CID: 2736430
DTXSID: DTXSID50371358
EC Number: 641-342-6

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 105 to · 105.0 to 109.0 °C
끓는 점: 242 · 242.0±35.0 °C(Predicted)
밀도: 1.803 · 1.803±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 9.83 · 9.83±0.50(Predicted)
색상: 흰색에서 밝은 노란색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): 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)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.