Methyl 5,6-Dichloronicotinate

HCID 2782166CAS 56055-54-0

기본 정보

표준 SMILES: COC(=O)c1cnc(Cl)c(Cl)c1
InChIKey: HWZINXYBRIQTEJ-UHFFFAOYSA-N
분자식: C7H5Cl2NO2
평균 분자량: 206.02 g/mol
단동위원소 질량: 204.96973376

이름 및 식별자

우선 이름: Methyl 5,6-Dichloronicotinate
IUPAC: methyl 5,6-dichloropyridine-3-carboxylate
영어명: Methyl 5,6-dichloronicotinate
분자식: C7H5Cl2NO2
분자량: 206.03

이름 및 동의어

Methyl 5,6-Dichloronicotinate56055-54-0DTXSID90381956RefChem:816622DTXCID70332981813-459-4methyl 5,6-dichloropyridine-3-carboxylateMFCD001253673-Pyridinecarboxylic acid, 5,6-dichloro-, methyl ester2,3-Dichloro-5-(methoxycarbonyl)pyridine5,6-dichloronicotinic acid methyl estermethyl 2,3-dichloro-5-pyridinecarboxylate

이름 더 보기

3W-0272ZINC001688705,6-dichloro-methyl esterMethyl 5,6-dichloronicotinate 97%5,6-dichloro-3-pyridinecarboxylic acid methyl esterMethyl 5,6-dichloropyridine-3-carboxylate, 2,3-Dichloro-5-(methoxycarbonyl)pyridineMethyl 5,6-dichloropyridine-3-carboxylate, 5,6-Dichloro-3-(methoxycarbonyl)pyridine

methyl 5,6-dichloro-3-pyridinecarboxylateY4T3YNN7XAmethyl-5,6-dichloronicotinateSCHEMBL473919CS-WAA0049methyl-5,6-dichloro-nicotinateSCHEMBL297269583-PYRIDINECARBOXYLIC ACID,5,6-DICHLORO-,METHYL ESTER

데이터베이스 식별자

CAS: 56055-54-0
PubChem CID: 2782166
DTXSID: DTXSID90381956
UNII: Y4T3YNN7XA
EC Number: 813-459-4
Nikkaji: J308.863D

물성

구조 계산 물성

XLogP: 2.3
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: 63 · 63-65°C
끓는 점: 265.5 · 265.5±35.0 °C(Predicted)
밀도: 1.426 · 1.426±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -2.84 · -2.84±0.10(Predicted)

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.