1-메틸-1H-이미다졸-4-카르복실산

1-methyl-1H-imidazole-4-carboxylic acid

HCID 541509CAS 41716-18-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1cnc(C(=O)O)c1
InChIKey: WZTRQGJMMHMFGH-UHFFFAOYSA-N
분자식: C5H6N2O2
평균 분자량: 126.11 g/mol
단동위원소 질량: 126.04292744

이름 및 식별자

우선 이름: 1-methyl-1H-imidazole-4-carboxylic acid
IUPAC: 1-methylimidazole-4-carboxylic acid
현지명: 1-메틸-1H-이미다졸-4-카르복실산
영어명: 1-Methyl-1H-imidazole-4-carboxylic acid
분자식: C5H6N2O2
분자량: 126.11

이름 및 동의어

1-Methyl-1H-imidazole-4-carboxylic acid41716-18-1DTXSID00337287RefChem:231485DTXCID90288375636-992-21-methylimidazole-4-carboxylic acid1-methyl-imidazole-4-carboxylic acidMFCD021795601-Methyl-4-imidazolecarboxylic AcidCS-W002912methyl-1H-imidazole-4-carboxylic acid

이름 더 보기

1-메틸-1H-이미다졸-4-카르복실산-1H-imidazoLBUTTPARK 90\06-311-Methyl-1H-4carboxylicacid1-Methyl-1H-imidazole-4-carboxy1-Methylimidazole-4-carboxylicAci1-Methyl-4-imidazolecarboxylicAcid>1-methyl-1H-imidzole-4-carboxylic acid1-Methyl-1H-imidazol-4-carboxylic acid

1-Methylimidazole-4-carboxylic acid, 97%M2272AB01326372-021-methyl-4-imidazole-carboxylic acidFT-06504151-methyl-4-imidazolic acidSCHEMBL170374SCHEMBL3434374

데이터베이스 식별자

CAS: 41716-18-1
PubChem CID: 541509
DTXSID: DTXSID00337287
ChEBI: CHEBI:74746
EC Number: 636-992-2
Nikkaji: J3.616.980J

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: 245 °C · 245 °C
끓는 점: 399.1 · 399.1±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
용해도: DMSO및메탄올에 용해됨
산도 계수 (pKa): 1.61 · 1.61±0.10(Predicted)
물리적 상태: 고체
색상: 황백색부터 연한 갈색까지
InChI: InChI=1S/C5H6N2O2/c1-7-2-4(5(8)9)6-3-7/h2-3H,1H3,(H,8,9)
InChIKey: WZTRQGJMMHMFGH-UHFFFAOYSA-N
SMILES: C1N(C)C=C(C(O)=O)N=1

화학적 성질

White to light brown solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39
위험 등급: IRRITANT
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-메틸-1H-이미다졸-5-카르복실산 (1-메틸-1H-이미다졸-4-일)메탄올 N-methoxy-N,1-dimethyl-1H-imidazole-4-carboxamide

공급사50 곳

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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

연결된 노트

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