CAS 1052617-38-5 3-(difluoromethyl)-1-methyl-1H-pyrazole-5-carboxylic acid (HCID 18983017)

기본 정보

CAS: 1052617-38-5
표준 SMILES: Cn1nc(C(F)F)cc1C(=O)O
InChIKey: AAHYTWRSQZFZCM-UHFFFAOYSA-N
분자식: C6H6F2N2O2
평균 분자량: 176.12 g/mol

이름 및 식별자

우선 이름: 3-(difluoromethyl)-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC: 3-(difluoromethyl)-1-methylpyrazole-5-carboxylic acid
영어명: 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
분자식: C6H6F2N2O2
분자량: 176.12

이름 및 동의어

3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID1052617-38-5RefChem:494892845-813-9MFCD099718225-(difluoromethyl)-2-methylpyrazole-3-carboxylic acidSCHEMBL19556297AKOS0063132111H-pyrazole-5-carboxylic acid, 3-(difluoromethyl)-1-methyl-SY204785EN300-260047Z1198266917

이름 더 보기

3-(difluoromethyl)-1-methyl-1H-pyrazole-5-carboxylic acid - [D81210]

BB 02599953-(Difluoromethyl)-1-methYQF0761ALBB-026402CSB61738STL583865LS-08993DB-217735

데이터베이스 식별자

CAS: 1052617-38-5
PubChem CID: 18983017
EC Number: 845-813-9

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 188

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, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

risk_code: 22
hazard_code: Xi,Xn
위험 등급: IRRITANT

화학 및 산업

공급사19 곳

宁波振岳医药科技有限公司19817745290 · [email protected]

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]

화합물 노트

불러오는 중…