Ethyl 4,6-dimethoxypyrimidine-2-carboxylate

HCID 4449183CAS 128276-49-3

기본 정보

표준 SMILES: CCOC(=O)c1nc(OC)cc(OC)n1
InChIKey: ODMOQVSDVCHMLF-UHFFFAOYSA-N
분자식: C9H12N2O4
평균 분자량: 212.2 g/mol
단동위원소 질량: 212.07970687

이름 및 식별자

우선 이름: Ethyl 4,6-dimethoxypyrimidine-2-carboxylate
IUPAC: ethyl 4,6-dimethoxypyrimidine-2-carboxylate
영어명: Ethyl 4,6-dimethoxypyrimidine-2-carboxylate
분자식: C9H12N2O4
분자량: 212.2

이름 및 동의어

ethyl 4,6-dimethoxypyrimidine-2-carboxylate128276-49-3DTXSID20403413RefChem:343609DTXCID50354267812-483-2MFCD036453664,6-Dimethoxypyrimidine-2-carboxylic acidethyl ester2-ethoxycarbonyl-4,6-dimethoxypyrimidinePeakdale1_002680SCHEMBL577793HMS525J18

이름 더 보기

Ethyl 4,6-dimethoxypyrimidine-2-carboxylate 95+%2-Pyrimidinecarboxylic acid, 4,6-dimethoxy-, ethyl esterMethyl 4-Methoxy-6-(MethoxyMethyl)pyriMidine-2-carboxylateEthyl 4,6-dimethoxypyrimidine-2-carboxylate ISO 9001：2015 REACH

ODMOQVSDVCHMLF-UHFFFAOYSA-NSBB094626AKOS015892553PS-7988SB57911SY516813ethyl4,6-dimethoxypyrimidine-2-carboxylateDB-351531

데이터베이스 식별자

CAS: 128276-49-3
PubChem CID: 4449183
DTXSID: DTXSID20403413
EC Number: 812-483-2
Nikkaji: J1.038.970D

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 70.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 200

물리화학적 성질

녹는점: 54 · 54-55 °C(Solv: hexane (110-54-3))
끓는 점: 351.7 · 351.7±45.0 °C(Predicted)
밀도: 1.19 · 1.190±0.06 g/cm3(Predicted)
물리적 상태: 고체
산도 계수 (pKa): -1.29 · -1.29±0.30(Predicted)
색상: 연노랑

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.