5-Methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid

HCID 16777624

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 241798-60-7
표준 SMILES: Cc1c(C(=O)O)cnn1-c1ccccn1
InChIKey: CQEIZYGGTNLXOM-UHFFFAOYSA-N
분자식: C10H9N3O2
평균 분자량: 203.2 g/mol
단동위원소 질량: 203.06947654

이름 및 식별자

우선 이름: 5-Methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
IUPAC: 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
영어명: 5-methyl-1-(2-pyridinyl)-1H-pyrazole-4-carboxylic acid(SALTDATA: FREE)
분자식: C10H9N3O2
분자량: 203.2

이름 및 동의어

241798-60-75-Methyl-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acidDTXSID70588340RefChem:303942DTXCID60539104828-627-25-methyl-1-pyridin-2-yl-1H-pyrazole-4-carboxylic acidMFCD090500855-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid5-methyl-1-(2-pyridinyl)-1h-pyrazole-4-carboxylic acid1H-Pyrazole-4-carboxylic acid, 5-methyl-1-(2-pyridinyl)-5-Methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid

이름 더 보기

5-methyl-1-(2-pyridyl)-4-pyrazolecarboxylic acid5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylic acid5-Methyl-1-pyridin-2-yl-1H-pyrazol-4-carboxylic acid5-methyl-1-(2-pyridinyl)-1H-pyrazole-4-carboxylic acid(SALTDATA: FREE)

SCHEMBL3517338CQEIZYGGTNLXOM-UHFFFAOYSA-NALBB-012547AKOS000133607DA-37167LS-03927EN300-35723G19797

데이터베이스 식별자

CAS: 241798-60-7
PubChem CID: 16777624
DTXSID: DTXSID70588340
EC Number: 828-627-2

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 68 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 247

물리화학적 성질

끓는 점: 414.4 · 414.4±30.0 °C(Predicted)
밀도: 1.35 · 1.35±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.11 · 3.11±0.25(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

risk_code: 36
hazard_code: Xi
safety_code: 26
위험 등급: IRRITANT

화학 및 산업

공급사11 곳

烟台盛凯伦生物制品有限公司13356901049 · [email protected]

上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]

常州探索化学有限公司15295164949 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

화합물 노트

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