1-(TERT-부틸)-5-(트리플루오로메틸)-1H-피라졸-4-카르복실산

1-tert-Butyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

HCID 1482039

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 142818-02-8
표준 SMILES: CC(C)(C)n1ncc(C(=O)O)c1C(F)(F)F
InChIKey: LBPZUNLSYYEDFB-UHFFFAOYSA-N
분자식: C9H11F3N2O2
평균 분자량: 236.19 g/mol
단동위원소 질량: 236.07726225

이름 및 식별자

우선 이름: 1-tert-Butyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
IUPAC: 1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid
현지명: 1-(TERT-부틸)-5-(트리플루오로메틸)-1H-피라졸-4-카르복실산
영어명: 1-(tert-Butyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
분자식: C9H11F3N2O2
분자량: 236.19

이름 및 동의어

142818-02-81-tert-butyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acidDTXSID00363248RefChem:436758DTXCID00314295983-019-51-(tert-Butyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxylic acidMFCD04124379Bionet2_001446LBPZUNLSYYEDFB-UHFFFAOYSA-NSCHEMBL573679

이름 더 보기

1-(TERT-부틸)-5-(트리플루오로메틸)-1H-피라졸-4-카르복실산1-tert-butyl-5-(trifluoromethyl)-4-pyrazolecarboxylic acid1H-Pyrazole-4-carboxylic acid, 1-(1,1-dimethylethyl)-5-(trifluoromethyl)-

HMS1368C01SBB098562AKOS005069604DB-098001CS-0248872EN300-41754G32022SR-01000307036

데이터베이스 식별자

CAS: 142818-02-8
PubChem CID: 1482039
DTXSID: DTXSID00363248
EC Number: 983-019-5

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 285

물리화학적 성질

녹는점: 115 · 115-117°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.