2-메틸피리미딘-5-카르복실산

2-Methylpyrimidine-5-carboxylic acid

HCID 13670875CAS 5194-32-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ncc(C(=O)O)cn1
InChIKey: NMGIXZFBQPETOK-UHFFFAOYSA-N
분자식: C6H6N2O2
평균 분자량: 138.12 g/mol
단동위원소 질량: 138.04292744

이름 및 식별자

우선 이름: 2-Methylpyrimidine-5-carboxylic acid
IUPAC: 2-methylpyrimidine-5-carboxylic acid
현지명: 2-메틸피리미딘-5-카르복실산
영어명: 2-Methylpyrimidine-5-carboxylic acid
분자식: C6H6N2O2
분자량: 138.12

이름 및 동의어

2-methylpyrimidine-5-carboxylic acid5194-32-1DTXSID50546347RefChem:263987DTXCID80497131802-131-62-Methyl-5-pyrimidinecarboxylic acidMFCD082352102-methylpyrimidine-5-carboxylicacidSCHEMBL185619CL19022-methyl-pyrimidine-5-carboxylic acid

이름 더 보기

2-메틸피리미딘-5-카르복실산2-Methyl-5-pyrimidinic acid2-methyl-5-pyrimidine formic acid2-METYL-5-PYRIMIDINECARBOXYLIC ACID2-propyl-pyrimidine-5-carboxylic acid2-Methylpyrimidine-5-carboxylicacid,97%2-Methylpyrimidine-5-carboxylic acid AldrichCPR5-Pyrimidinecarboxylic acid, 2-methyl- (7CI,8CI,9CI)

AKOS000284163CS-W016511AC-3605PS-5721EN300-64298F2167-00215-PYRIMIDINECARBOXYLIC ACID, 2-METHYL-2-methylpyrimidi

데이터베이스 식별자

CAS: 5194-32-1
PubChem CID: 13670875
DTXSID: DTXSID50546347
EC Number: 802-131-6
Nikkaji: J284.736A

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 63.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 130

물리화학적 성질

녹는점: 203 · 203-205°C
끓는 점: 292.5 · 292.5±13.0 °C(Predicted)
밀도: 1.319 · 1.319±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 2.91 · 2.91±0.10(Predicted)
물리적 상태: 고체
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C6H6N2O2/c1-4-7-2-5(3-8-4)6(9)10/h2-3H,1H3,(H,9,10)
InChIKey: NMGIXZFBQPETOK-UHFFFAOYSA-N
SMILES: C1(C)=NC=C(C(O)=O)C=N1

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 (100%): 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 2 reports by companies from 2 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. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 38220090
risk_code: 36-36/37/38-22
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Methylpyrimidine-5-carboxylic Acid is used in perparation of substituted pyridazine- and pyridinecarboxamides as SCDs modulators.

상·하류 제품 정보

하류 제품

2-Methyl-5-pyrimidinemethanol

공급사50 곳

苏州启航生物科技有限公司18151111370 · [email protected]

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

济南深丽康化工科技有限公司0531-86092839 15318817273 · [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]

연결된 노트

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