메틸2-클로로-6-메틸리미딘-4-카르복실레이트

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate

HCID 2736835

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 89793-11-3
표준 SMILES: COC(=O)c1cc(C)nc(Cl)n1
InChIKey: ZNPORLVPCMFKOR-UHFFFAOYSA-N
분자식: C7H7ClN2O2
평균 분자량: 186.59 g/mol
단동위원소 질량: 186.01960514

이름 및 식별자

우선 이름: Methyl 2-chloro-6-methylpyrimidine-4-carboxylate
IUPAC: methyl 2-chloro-6-methylpyrimidine-4-carboxylate
현지명: 메틸2-클로로-6-메틸리미딘-4-카르복실레이트
영어명: Methyl 2-chloro-6-methylpyrimidine-4-carboxylate
분자식: C7H7ClN2O2
분자량: 186.6

이름 및 동의어

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate89793-11-3DTXSID10371637RefChem:354202DTXCID80322671672-864-2methyl 2-chloro-6-methyl-pyrimidine-4-carboxylateMFCD001179064-PYRIMIDINECARBOXYLIC ACID, 2-CHLORO-6-METHYL-, METHYL ESTERSCHEMBL350485ZNPORLVPCMFKOR-UHFFFAOYSA-NSBB053955

이름 더 보기

메틸2-클로로-6-메틸리미딘-4-카르복실레이트BUTTPARK 43\57-822-Chloro-4-(methoxycarbonyl)-6-methylpyrimidineMethyl 2-chloro-6-methyl-4-pyrimidinecarboxylateMETHYL 2-CHLORO-4-METHYL-PYRIMIDINE-6-CARBOXYLATEEthyl 3-(trifluoromethyl)-1h-pyrazol-4-carboxylateMethyl 2-chloro-6-MethylpyriMidine-4-carboxylate 97%Methyl 2-chloro-6-methylpyrimidine-4-carboxylate ,98%Methyl 2-chloro-4-methylpyrimidine-6-carboxylate, HPLC +97%methyl 2-chloro-6-methyl-pyrimidine-4-carboxylate - [M87810]

AKOS005135922AB03487PS-3558CS-10727SY1626952-chloro-4-carbomethoxy-6-methylpyrimidineDB-015363CS-0045865

데이터베이스 식별자

CAS: 89793-11-3
PubChem CID: 2736835
DTXSID: DTXSID10371637
EC Number: 672-864-2
Nikkaji: J2.315.183I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 52.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 177

물리화학적 성질

녹는점: 108 · 108-113 °C
끓는 점: 306.5 · 306.5±22.0 °C(Predicted)
밀도: 1.314 · 1.314±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Storage temp. -20°C
산도 계수 (pKa): -3.06 · -3.06±0.30(Predicted)
물리적 상태: 고체
InChI: 1S/C7H7ClN2O2/c1-4-3-5(6(11)12-2)10-7(8)9-4/h3H,1-2H3
InChIKey: ZNPORLVPCMFKOR-UHFFFAOYSA-N
SMILES: COC(=O)c1cc(C)nc(Cl)n1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.