Methyl 6-methylpyridine-2-carboxylate

HCID 73022CAS 13602-11-4

기본 정보

표준 SMILES: COC(=O)c1cccc(C)n1
InChIKey: CYWIZMOZBTXFIL-UHFFFAOYSA-N
분자식: C8H9NO2
평균 분자량: 151.16 g/mol
단동위원소 질량: 151.06332853

이름 및 식별자

우선 이름: Methyl 6-methylpyridine-2-carboxylate
IUPAC: methyl 6-methylpyridine-2-carboxylate
영어명: methyl 6-methylpyridine-2-carboxylate
분자식: C8H9NO2
분자량: 151.16

이름 및 동의어

Methyl 6-methylpyridine-2-carboxylate13602-11-4Methyl 6-methylpicolinate6-Methylpyridine-2-carboxylic acid methyl esterMethyl 6-methyl-2-pyridinecarboxylate2-Pyridinecarboxylic acid, 6-methyl-, methyl ester6-methylpicolinic acid methyl esterH33TY2BZE4NSC-109151EINECS 237-085-0UNII-H33TY2BZE4NSC 109151

이름 더 보기

Methyl-6-methylpyridin-2-carboxylatMETHYL-6-MENTHYPYRIDINE-2-CARBOXYLATEMethyl6-Methylpyridine-2-carboxylate>Methyl6-methylpyridine-2-carboxylate,96%6-methyl-2-pyridinecarboxylic acid ester

2-METHYL-6-METHOXYCARBONYLPYRIDINEDTXSID90159632PICOLINIC ACID, 6-METHYL-, METHYL ESTER6-METHYLPYRIDIN-2-CARBOXYLIC ACID METHYL ESTERRefChem:157725DTXCID8082123237-085-0MFCD06203670

데이터베이스 식별자

CAS: 13602-11-4
PubChem CID: 73022
DTXSID: DTXSID90159632
UNII: H33TY2BZE4
EC Number: 237-085-0
Nikkaji: J277.952H

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 18 °C · 18 °C
끓는 점: 242 ℃ · 242℃
밀도: 1.104 · 1.104
굴절률: 1.516 · 1.5160-1.5200
인화점: 100 ℃ · 100℃
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 1.93 · 1.93±0.10(Predicted)
색상: White or Colorless to Light yellow

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

HS 번호: 2933399990

화학 및 산업

응용 분야

용도Methyl 6-Methylpyridine-2-carboxylate is a reagent used in the sunthesis of antitumor agents based upon the dihydropyrrolopyrazole compounds. Also used in the synthesis of quinazolinone TGF-β inhibitors.