CAS 188781-10-4 2-Chloro-4-methylpyrimidine-5-carboxylic acid (HCID 10487414)

기본 정보

CAS: 188781-10-4
표준 SMILES: Cc1nc(Cl)ncc1C(=O)O
InChIKey: DSEHPQBQVDLHSK-UHFFFAOYSA-N
분자식: C6H5ClN2O2
평균 분자량: 172.57 g/mol
단동위원소 질량: 172.00395508

이름 및 식별자

우선 이름: 2-Chloro-4-methylpyrimidine-5-carboxylic acid
IUPAC: 2-chloro-4-methylpyrimidine-5-carboxylic acid
현지명: 5-피리미딘카르복실산,2-클로로-4-메틸-(9CI)
영어명: 4-methyl-2-chloro-pyrimidine-5-carboxylic acid
분자식: C6H5ClN2O2
분자량: 172.57

이름 및 동의어

2-Chloro-4-methylpyrimidine-5-carboxylic acid188781-10-4DTXSID40440663RefChem:258818DTXCID00391485640-648-75-PYRIMIDINECARBOXYLIC ACID, 2-CHLORO-4-METHYL-MFCD098631675-Pyrimidinecarboxylic acid, 2-chloro-4-methyl- (9CI)5-Carboxy-2-chloro-4-methylpyrimidine2-chloro-4-methyl-5-Pyrimidine carboxylic acidSCHEMBL63532

이름 더 보기

5-피리미딘카르복실산,2-클로로-4-메틸-(9CI)4-methyl-2-chloro-pyrimidine-5-carboxylic acid4-ethyl-2-hydroxy-pyrimidine-5-carboxylic acid5-Carboxy-2-chloro-4-methylpyrimidine, 2-Chloro-4-methyl-1,3-diazine-5-carboxylic acid

2-CLORO-4-METHYLPYRIMIDINE-5-CARBOXYLIC ACIDDSEHPQBQVDLHSK-UHFFFAOYSA-NCS1395GEO-03715AKOS006280780AB53772PS-4009DB-065658

데이터베이스 식별자

CAS: 188781-10-4
PubChem CID: 10487414
DTXSID: DTXSID40440663
EC Number: 640-648-7

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 63.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 165

물리화학적 성질

끓는 점: 375.3 · 375.3±22.0 °C(Predicted)
밀도: 1.479 · 1.479±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 2.06 · 2.06±0.25(Predicted)
물리적 상태: 가루
색상: 희미한 노란색

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, P317, 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.