Methyl 2,6-dichloropyridine-3-carboxylate

HCID 11106516

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 65515-28-8
표준 SMILES: COC(=O)c1ccc(Cl)nc1Cl
InChIKey: IFVVGOJYWCHRCT-UHFFFAOYSA-N
분자식: C7H5Cl2NO2
평균 분자량: 206.02 g/mol
단동위원소 질량: 204.96973376

이름 및 식별자

우선 이름: Methyl 2,6-dichloropyridine-3-carboxylate
IUPAC: methyl 2,6-dichloropyridine-3-carboxylate
영어명: Methyl 2,6-dichloronicotinate
분자식: C7H5Cl2NO2
분자량: 206.03

이름 및 동의어

Methyl 2,6-dichloropyridine-3-carboxylateRefChem:812973625-310-9Methyl 2,6-dichloronicotinate65515-28-8MFCD073697942,6-DICHLORONICOTINIC ACID METHYL ESTERDTXSID904554092,6-Dichloropyridine-3-carboxylic Acid Methyl EsterM2616EN300-99554Z962652390

이름 더 보기

Sosimerasib Impurity 22,6-two chloroMethyl nicotinateMethyl2,6-dichloronicotinate,97%Methyl 2,6-Dichloronicotinate >methyl 2,6-dichloronicotinate (en)METHYL 2 6-DICHLOROPYRIDINE-3-CARBOXYLA&Methyl 2,6-dichloropyridin-3-carboxylateMethyl 2,6-Dichloro-3-pyridinecarboxylate

Methyl2,6-dichloronicotinateAMY233573-Pyridinecarboxylic acid, 2,6-dichloro-, methyl esterFT-0681241A847136SCHEMBL424747methyl 2,6-dichloro-nicotinateSCHEMBL29450481

데이터베이스 식별자

CAS: 65515-28-8
PubChem CID: 11106516
DTXSID: DTXSID90455409
EC Number: 625-310-9
Nikkaji: J1.403.912K

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 177

물리화학적 성질

녹는점: 56 · 56-60 °C(lit.)
끓는 점: 270.5 · 270.5±35.0 °C(Predicted)
밀도: 1.426 · 1.426±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): -4.55 · -4.55±0.10(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-3-5(8)10-6(4)9/h2-3H,1H3
InChIKey: IFVVGOJYWCHRCT-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC=C1C(OC)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.