3-Acetyl-6-methylpyridine

HCID 95292CAS 36357-38-7

기본 정보

표준 SMILES: CC(=O)c1ccc(C)nc1
InChIKey: PVRYOKQFLBSILA-UHFFFAOYSA-N
분자식: C8H9NO
평균 분자량: 135.16 g/mol
단동위원소 질량: 135.06841391

이름 및 식별자

우선 이름: 3-Acetyl-6-methylpyridine
IUPAC: 1-(6-methyl-3-pyridinyl)ethanone
영어명: 5-ACETYL-2-METHYLPYRIDINE
분자식: C8H9NO
분자량: 135.16

이름 및 동의어

36357-38-73-Acetyl-6-Methylpyridine1-(6-methylpyridin-3-yl)ethanone2-Methyl-5-acetylpyridine1-(6-Methylpyridin-3-yl)ethan-1-oneEthanone, 1-(6-methyl-3-pyridinyl)-5-Acetyl-2-picoline1-(6-Methyl-3-pyridyl)-1-ethanone0H4J36GB7B1-(6-Methyl-3-pyridinyl)ethanoneEINECS 252-995-8NSC 27972

이름 더 보기

5-Acetyl-2-Methylpyridin1-(6-methyl-3-pyridyl)ethanone5-Acetyl-2-Methyl Piridine 96%

NSC-27972DTXSID5067970KETONE, METHYL 6-METHYL-3-PYRIDYLRefChem:496590DTXCID80391625-Acetyl-2-methylpyridineMFCD001281131-(6-Methyl-pyridin-3-yl)-ethanone

데이터베이스 식별자

CAS: 36357-38-7
PubChem CID: 95292
DTXSID: DTXSID5067970
UNII: 0H4J36GB7B
EC Number: 252-995-8
Nikkaji: J31.346G

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 133

물리화학적 성질

녹는점: 17.6 °C · 17.6°C
끓는 점: 55 · 55-56°C/Oil Pump
밀도: 1.0168 · 1.0168
굴절률: 1.5302 · 1.5302 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 4.15 · 4.15±0.10(Predicted)
색상: 무색~담황색
수용성: 물과 부분적으로 섞임.
EPA: 1 · Ethanone, 1-(6-methyl-3-pyridinyl)- (36357-38-7)

화학적 성질

Pale-Yellow Oil

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, 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 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

tsca: TSCA listed
HS 번호: 2933399990

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 1-(6-methyl-3-pyridinyl)-: INACTIVE

응용 분야

용도5-Acetyl-2-methylpyridine is used in the preparation of pyridine-2,5-dicarboxylic acid by using potassium permanganate as an oxidant. Further, it serves as a ligand for Suzuki coupling.