메틸4-클로로-6-메틸니코티네이트

Methyl 2-chloro-6-methylpyridine-3-carboxylate

HCID 13055804CAS 53277-47-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc(C)nc1Cl
InChIKey: SHKDOGHJQHIIRD-UHFFFAOYSA-N
분자식: C8H8ClNO2
평균 분자량: 185.61 g/mol
단동위원소 질량: 185.02435618

이름 및 식별자

우선 이름: Methyl 2-chloro-6-methylpyridine-3-carboxylate
IUPAC: methyl 2-chloro-6-methylpyridine-3-carboxylate
현지명: 메틸4-클로로-6-메틸니코티네이트
영어명: Methyl 4-chloro-6-methylnicotinate
분자식: C8H8ClNO2
분자량: 185.61

이름 및 동의어

53277-47-7methyl 2-chloro-6-methylpyridine-3-carboxylateDTXSID80516619RefChem:814315DTXCID30467425692-363-2Methyl 2-chloro-6-methylnicotinate2-Chloro-6-methyl-nicotinic acid methyl esterMFCD118457633-Pyridinecarboxylic acid, 2-chloro-6-methyl-, methyl esterMETHYL6-METHYL-2-CHLOROPYRIDINE-3-CARBOXYLATEMethyl2-chloro-6-methylnicotinate

이름 더 보기

메틸4-클로로-6-메틸니코티네이트Methyl 4-chloro-6-methylnicotinateMethyl 2-chloro-6-methylpyridine-3-carboxylate, 2-Chloro-3-(methoxycarbonyl)-6-methylpyridine

2-chloro-6-methyl-3-pyridinecarboxylic acid methyl esterSCHEMBL334079SCHEMBL29453741SHKDOGHJQHIIRD-UHFFFAOYSA-Nmethyl-2-chloro-6-methylnicotinatemethyl 2-chloro-6-methyl-nicotinateCL0086SBB090333

데이터베이스 식별자

CAS: 53277-47-7
PubChem CID: 13055804
DTXSID: DTXSID80516619
EC Number: 692-363-2
Nikkaji: J1.115.813G

물성

구조 계산 물성

XLogP: 2.1
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: 174

물리화학적 성질

녹는점: 27 · 27-28℃
끓는 점: 253 ℃ · 253℃
밀도: 1.247 · 1.247
인화점: 107 ℃ · 107℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -0.43 · -0.43±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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.