3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 13370516CAS 1015868-48-0

기본 정보

표준 SMILES: Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)O
InChIKey: JNOADCITUCNMIN-UHFFFAOYSA-N
분자식: C11H9ClN2O2
평균 분자량: 236.65 g/mol
단동위원소 질량: 236.03525521

이름 및 식별자

우선 이름: 3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC: 3-(4-chlorophenyl)-1-methylpyrazole-5-carboxylic acid
영어명: 3-(4-Chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
분자식: C11H9ClN2O2
분자량: 236.65

이름 및 동의어

3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid1015868-48-0DTXSID40538534RefChem:274474DTXCID50489321829-282-0MFCD084460115-(4-CHLORO-PHENYL)-2-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID5-(4-chlorophenyl)-2-methylpyrazole-3-carboxylic acidSTK3925213-(4-chlorophenyl)-1-methyl-1{H}-pyrazole-5-carboxylic acidCS-0038337

이름 더 보기

1H-Pyrazole-5-carboxylic acid, 3-(4-chlorophenyl)-1-methyl-3-(4-chlorophenyl)-1-methyl-1H-pyridineazole-5-carboxylic acid

3-(4-chlorophenyl)-1-methylpyrazole-5-carboxylic acidSCHEMBL25655865-(4-chlorophenyl)-2-methylpyr5-(4-chlorophenyl)-2-methyl-2H-pyrazole-3-carboxylic acidALBB-031432QQB86848SBB018251AKOS000271903

데이터베이스 식별자

CAS: 1015868-48-0
PubChem CID: 13370516
DTXSID: DTXSID40538534
EC Number: 829-282-0

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 267

물리화학적 성질

끓는 점: 443.7 · 443.7±35.0 °C(Predicted)
밀도: 1.38 · 1.38±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 2.87 · 2.87±0.25(Predicted)
InChI: 1S/C11H9ClN2O2/c1-14-10(11(15)16)6-9(13-14)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)
InChIKey: JNOADCITUCNMIN-UHFFFAOYSA-N
SMILES: Cn1nc(cc1C(O)=O)-c2ccc(Cl)cc2

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
risk_code: 22
hazard_code: Xn
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사20 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]

연결된 노트

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