1-메틸-1H-피라졸-5-카르복실산

1-methyl-1H-pyrazole-5-carboxylic acid

HCID 643158CAS 16034-46-1

기본 정보

표준 SMILES: Cn1nccc1C(=O)O
InChIKey: JREJQAWGQCMSIY-UHFFFAOYSA-N
분자식: C5H6N2O2
평균 분자량: 126.11 g/mol
단동위원소 질량: 126.04292743

개요

1-methyl-pyrazole-5-carboxylic acid is a member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group substituents at position 5. It has a role as a metabolite. It is a monocarboxylic acid and a member of pyrazoles. It is functionally related to a N-methylpyrazole.

이름 및 식별자

우선 이름: 1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC: 2-methylpyrazole-3-carboxylic acid
현지명: 1-메틸-1H-피라졸-5-카르복실산
영어명: 1-Methyl-1H-pyrazole-5-carboxylic acid
분자식: C5H6N2O2
분자량: 126.11

이름 및 동의어

1-methyl-1H-pyrazole-5-carboxylic acid16034-46-12-methylpyrazole-3-carboxylic acid1H-pyrazole-5-carboxylic acid, 1-methyl-DTXSID50349118RefChem:433902DTXCID20300190673-167-6InChI=1/C5H6N2O2/c1-7-4(5(8)9)2-3-6-7/h2-3H,1H3,(H,8,91-methylpyrazole-5-carboxylic acid2-Methyl-2H-pyrazole-3-carboxylic acidMFCD00464253

이름 더 보기

1-메틸-1H-피라졸-5-카르복실산SKL263AKOS B000141AKOS PAO-0505CHEMBRDG-BB 4401287ART-CHEM-BB B000141TIMTEC-BB SBB0000071-Methyl-1H-pyrazole-5-ca...1-Methyl-pyrazole-5-carboxylicacid

1-METHYL-5-PYRAZOLECARBOXYLIC ACID1-Methyl-1H-pyrazole-5-carboxylicacidSCHEMBL262323CS-D17131-methyl-pyrazole-5-carboxylic acidSTK301313AKOS0003012002H-Pyrazole-3-carboxylic acid, 2-methyl-

데이터베이스 식별자

CAS: 16034-46-1
PubChem CID: 643158
DTXSID: DTXSID50349118
ChEMBL: CHEMBL2287221
ChEBI: CHEBI:74737
EC Number: 673-167-6
Nikkaji: J1.982.776C

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 126

물리화학적 성질

녹는점: 220 · 220-225 °C
끓는 점: 306.9 · 306.9±15.0 °C(Predicted)
밀도: 1.34 · 1.34±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 3.03 · 3.03±0.25(Predicted)
색상: 흰색에서 거의 흰색
InChI: 1S/C5H6N2O2/c1-7-4(5(8)9)2-3-6-7/h2-3H,1H3,(H,8,9)
InChIKey: JREJQAWGQCMSIY-UHFFFAOYSA-N
SMILES: Cn1nccc1C(O)=O

화학적 성질

White to yellow solid

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)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29331990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
위험 참고 사항: Harmful
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

1-methyl-4-nitro-1H-pyrazole-5-carbonyl chloride 5-(히드록시메틸)-1-메틸-1H-피라졸

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

연결된 노트

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