Methyl 2-methylnicotinate

HCID 7015327

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기본 정보

CAS: 65719-09-7
표준 SMILES: COC(=O)c1cccnc1C
InChIKey: KLHWBYHFWALOIJ-UHFFFAOYSA-N
분자식: C8H9NO2
평균 분자량: 151.16 g/mol
단동위원소 질량: 151.06332853

이름 및 식별자

우선 이름: Methyl 2-methylnicotinate
IUPAC: methyl 2-methylpyridine-3-carboxylate
영어명: Methyl 2-methylnicotinate
분자식: C8H9NO2
분자량: 151.16

이름 및 동의어

Methyl 2-methylnicotinate65719-09-7DTXSID30426734RefChem:354414DTXCID60377568680-921-8Methyl 2-methylpyridine-3-carboxylate2-Methylnicotinic acid methyl esterMFCD000519613-Pyridinecarboxylic acid, 2-methyl-, methyl esterMethyl2-methylnicotinateMethyl 2-methyl-3-pyridinecarboxylate

이름 더 보기

Acifluorfen Impurity 6Methyl 2-methylnicotiteMethyl2-methylnicotinate,97%Methyl 2-Methylnicotinate, 95+%Methyl 2-methylpyridin-3-carboxylateMethyl 2-methylnicotinate ISO 9001：2015 REACH

methyi 2-methyinicotinatemethyl 2-methyinicotinatemethyl-2-methylnicotinateSCHEMBL1248162SCHEMBL12230973KLHWBYHFWALOIJ-UHFFFAOYSA-NSBB065253AKOS005255541

데이터베이스 식별자

CAS: 65719-09-7
PubChem CID: 7015327
DTXSID: DTXSID30426734
EC Number: 680-921-8
Nikkaji: J267.401G

물성

구조 계산 물성

XLogP: 1.1
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

끓는 점: 102 · 102-104°C 10mm
밀도: 1.104 · 1.104±0.06 g/cm3(Predicted)
굴절률: 1.5165 · 1.5165
인화점: 102 · 102-104°C/10mm
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름과 메탄올에 용해됩니다.
산도 계수 (pKa): 3.92 · 3.92±0.10(Predicted)
물리적 상태: 기름
색상: 무색~진한 노란색
BRN: 471919 · 471919
InChI: InChI=1S/C8H9NO2/c1-6-7(8(10)11-2)4-3-5-9-6/h3-5H,1-2H3
InChIKey: KLHWBYHFWALOIJ-UHFFFAOYSA-N
SMILES: C1(C)=NC=CC=C1C(OC)=O

화학적 성질

Light Brown Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesEye Dam. 1 (16.7%)

안전 데이터

HS 번호: 2933399990
risk_code: 36/38-41
hazard_code: Xi
safety_code: 26-36-39

화학 및 산업

응용 분야

용도Methyl 2-Methylnicotinate is an ester derivative of nicotinic acid used in the preparation of bicyclic nitrogen containing heterocycles. Methyl 2-Methylnicotinate is a pyrolysis product of cocaine.