4,6-Dimethoxypyrimidine-2-carboxylic acid

HCID 4422483CAS 128276-50-6

기본 정보

표준 SMILES: COc1cc(OC)nc(C(=O)O)n1
InChIKey: PRXXMEMJCXTHTP-UHFFFAOYSA-N
분자식: C7H8N2O4
평균 분자량: 184.15 g/mol
단동위원소 질량: 184.04840674

이름 및 식별자

우선 이름: 4,6-Dimethoxypyrimidine-2-carboxylic acid
IUPAC: 4,6-dimethoxypyrimidine-2-carboxylic acid
영어명: 4,6-Dimethoxypyrimidine-2-carboxylicacid
분자식: C7H8N2O4
분자량: 184.15

이름 및 동의어

4,6-dimethoxypyrimidine-2-carboxylic acid128276-50-6DTXSID80403131RefChem:285891DTXCID80353985672-872-62-Pyrimidinecarboxylic acid, 4,6-dimethoxy-4,6-DIMETHOXYPYRIMIDINE-2-CARBOXYLICACID4,6-Dimethoxypyrimidine-2yl-carboxylic acidMFCD03645365Peakdale1_002678SCHEMBL3405403

이름 더 보기

2-Carboxy-4,6-dimethoxypyrimidine4,6-Dimethoxypyrimidine-2-carboxylic 4,6-DIMETHOXYPYRIMIDINE-2YL-CARBOXYLICACID4,6-Dimethoxypyrimidine-2-carboxylic acid 95+%4,6-DIMETHOXYPYRIMIDINE-2-CARBOXYLICACID ISO 9001：2015 REACH

HMS525J1646-Dimethoxypyrimidine-2-carboxylic acidPRXXMEMJCXTHTP-PRXXMEMJCXTHTP-UHFFFAOYSA-NSTR09587SBB090121AKOS006227821AC-9447

데이터베이스 식별자

CAS: 128276-50-6
PubChem CID: 4422483
DTXSID: DTXSID80403131
EC Number: 672-872-6

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 81.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 175

물리화학적 성질

녹는점: 156 · 156~158℃
끓는 점: 426.2 · 426.2±48.0 °C(Predicted)
밀도: 1.349 · 1.349±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.84 · 2.84±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.