Methyl 6-methylnicotinate

HCID 231548CAS 5470-70-2

기본 정보

표준 SMILES: COC(=O)c1ccc(C)nc1
InChIKey: VYPPZXZHYDSBSJ-UHFFFAOYSA-N
분자식: C8H9NO2
평균 분자량: 151.16 g/mol
단동위원소 질량: 151.06332853

이름 및 식별자

우선 이름: Methyl 6-methylnicotinate
IUPAC: methyl 6-methylpyridine-3-carboxylate
영어명: Methyl 6-methylnicotinate
분자식: C8H9NO2
분자량: 151.16

이름 및 동의어

Methyl 6-methylnicotinateMethyl 6-methylpyridine-3-carboxylateDTXSID80282781RefChem:817435DTXCID00233932611-187-95470-70-2methyl-6-methylnicotinate6-Methylnicotinic Acid Methyl EsterMFCD00006340methyl 6-methyl nicotinate3-pyridinecarboxylic acid, 6-methyl-, methyl ester

이름 더 보기

M6MN6-Methyl Methyl SmokeEtoricoxib Impurity ELABOTEST-BB LT00847843Methyl-6-methylnictinate5-CARBOMETHOXY-2-PICOLINEMethyle6-methylnicotinateEtoricoxib Intermediate 6

6-methyl-nicotinic acid methyl ester3-(Methoxycarbonyl)-6-methylpyridineNSC-27973Methyl 6-methyl-3-pyridinecarboxylatemethyl 6-methylaminonicotinateEtoricoxib Impurity 33NSC27973YA0K0CM5PK

데이터베이스 식별자

CAS: 5470-70-2
PubChem CID: 231548
DTXSID: DTXSID80282781
ChEMBL: CHEMBL3126027
UNII: YA0K0CM5PK
EC Number: 611-187-9
Nikkaji: J265.550K

물성

구조 계산 물성

XLogP: 1.2
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: 34 · 34-37 °C (lit.)
끓는 점: 160 °C/106 · 160 °C/106 mmHg (lit.)
밀도: 1.2023 · 1.2023 (rough estimate)
굴절률: 1.581 · 1.5810 (estimate)
인화점: 218 °F · 218 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 3.92 · 3.92±0.10(Predicted)
물리적 상태: 액체
색상: 무색투명~미황색
BRN: 122940 · 122940
InChI: InChI=1S/C8H9NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h3-5H,1-2H3
InChIKey: VYPPZXZHYDSBSJ-UHFFFAOYSA-N
SMILES: C1=NC(C)=CC=C1C(OC)=O

화학적 성질

Brown Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl 6-methylnicotinate is used in the treatment of CNS disorders using D-amino acid oxidase and D-aspartate oxidase inhibitors.

상·하류 제품 정보

상류 원료

메틸알콜 6-Methylnicotinic acid

하류 제품

5-Amino-2-methylpyridine 1-(6-Methylpyridin-3-yl)-2-(4-(methylsulfonyl)phenyl)ethanone Pyridine, 5-(chloromethyl)-2-methyl- (6CI,9CI)Methyl 6-(hydroxymethyl)nicotinate 하이드록시피오글리타존 RARECHEM알BW0442 TERT-부틸3-포르밀-1H-인돌-1-카르복실레이트 메틸6-포르밀니코티네이트 엠브이피 2,5-Dimethylpyridine Methyl 6-(pyrrolidin-1-ylMethyl)nicotinate (3S,6R)-1-((benzyloxy)carbonyl)-6-methylpiperidine-3-carboxylic acid

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

연결된 노트

불러오는 중…