4-클로로-2,5-디메틸-2H-피라졸-3-카르복실산

4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid

HCID 600040

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 98198-65-3
표준 SMILES: Cc1nn(C)c(C(=O)O)c1Cl
InChIKey: BSCNPVBDEITWDU-UHFFFAOYSA-N
분자식: C6H7ClN2O2
평균 분자량: 174.58 g/mol
단동위원소 질량: 174.01960514

이름 및 식별자

우선 이름: 4-chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acid
IUPAC: 4-chloro-1,3-dimethylpyrazole-5-carboxylic acid
현지명: 4-클로로-2,5-디메틸-2H-피라졸-3-카르복실산
영어명: 4-CHLORO-2,5-DIMETHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
분자식: C6H7ClN2O2
분자량: 174.59

이름 및 동의어

98198-65-34-Chloro-1,3-dimethyl-1H-pyrazole-5-carboxylic acidDTXSID00344870RefChem:291269DTXCID10295945673-158-74-chloro-2,5-dimethylpyrazole-3-carboxylic acid1H-Pyrazole-5-carboxylic acid, 4-chloro-1,3-dimethyl-MFCD020908384-Chloro-2,5-dimethyl-pyrazole-3-carboxylic acid4-Chloro-2,5-dimethyl-2H-pyrazole-3-carboxylic acid4-chloro-1,3-dimethylpyrazole-5-carboxylic acid

이름 더 보기

4-클로로-2,5-디메틸-2H-피라졸-3-카르복실산AKOS B000151ART-CHEM-BB B0001511,3-dimethyl-4-chloropyrazole-5-carboxylic acid4-chloro-2,5-dimethyl-3-pyrazolecarboxylic acidPyrazole-5-carboxylic acid, 4-chloro-1,3-dimethyl-1H-?Pyrazole-?5-?carboxylic acid, 4-?chloro-?1,?3-?dimethyl-

AG-664/250980104-Chloro-1,3-dimethyl-1H-pyrazole-5-carboxylicacidSCHEMBL23738381H-Pyrazole-5-carboxylicacid, 4-chloro-1,3-dimethyl-ALBB-014299SBB019485STK315862AKOS000304105

데이터베이스 식별자

CAS: 98198-65-3
PubChem CID: 600040
DTXSID: DTXSID00344870
EC Number: 673-158-7

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 176

물리화학적 성질

끓는 점: 324.4 · 324.4±37.0 °C(Predicted)
밀도: 1.47 · 1.47±0.1 g/cm3(Predicted)
산도 계수 (pKa): 1.9 · 1.90±0.38(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

공급사24 곳

郑州汇聚化工有限公司13393710386 · [email protected]

常州金和生物科技有限公司18796930758 · [email protected]

上海骏腾医药科技有限公司15900602605 15900602605 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

重庆科脉材料科技有限公司17830741407 · [email protected]

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