3-Methyl-5-nitro-2-pyridone

HCID 89097CAS 21901-34-8

기본 정보

표준 SMILES: Cc1cc([N+](=O)[O-])c[nH]c1=O
InChIKey: FPTYZBDNBMVYCL-UHFFFAOYSA-N
분자식: C6H6N2O3
평균 분자량: 154.12 g/mol
단동위원소 질량: 154.03784205

이름 및 식별자

우선 이름: 3-Methyl-5-nitro-2-pyridone
IUPAC: 3-methyl-5-nitro-1H-pyridin-2-one
영어명: 2-Hydroxy-3-methyl-5-nitropyridine
분자식: C6H6N2O3
분자량: 154.12

이름 및 동의어

3-Methyl-5-nitro-2-pyridoneDTXSID40176314EINECS 244-647-9NSC 63888RefChem:503982DTXCID4098805244-647-921901-34-82-Hydroxy-3-methyl-5-nitropyridine3-methyl-5-nitropyridin-2-ol2-Hydroxy-5-nitro-3-picoline3-methyl-5-nitro-1H-pyridin-2-one

이름 더 보기

3-Methyl-5-nitro-2-pyridon2-Hydroxy-3-Methyl-5-nitropyri2-Hydroxy-5-nitro-3-picoline,98%2(1H)-Pyridinone,3-methyl-5-nitro-

3-methyl-5-nitropyridin-2(1H)-one2-hydroxy-5-nitro-3-methylpyridine3-Methyl-5-nitro-2(1H)-pyridinoneMFCD030950732(1H)-PYRIDINONE, 3-METHYL-5-NITRO-3-Methyl-5-nitro-2-pyridinol3-methyl-5-nitro-1,2-dihydropyridin-2-one3-methyl-5-nitro-pyridin-2-ol

데이터베이스 식별자

CAS: 21901-34-8
PubChem CID: 89097
DTXSID: DTXSID40176314
UNII: 7PLY98DCN8
EC Number: 244-647-9
Nikkaji: J225.477H

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 74.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 272

물리화학적 성질

녹는점: 230 · 230-234 °C
끓는 점: 277.46 °C · 277.46°C (rough estimate)
밀도: 1.4564 · 1.4564 (rough estimate)
굴절률: 1.51 · 1.5100 (estimate)
저장 조건: 2 · 2-8°C
용해도: soluble in Dimethylformamide
물리적 상태: powder to crystal
산도 계수 (pKa): 8.65 · 8.65±0.10(Predicted)
색상: Light yellow to Brown to Dark green
BRN: 126949 · 126949
InChI: 1S/C6H6N2O3/c1-4-2-5(8(10)11)3-7-6(4)9/h2-3H,1H3,(H,7,9)
InChIKey: FPTYZBDNBMVYCL-UHFFFAOYSA-N
SMILES: Cc1cc(cnc1O)[N+]([O-])=O

화학적 성질

Green-yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (91.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 73 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (91.8%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29333990
risk_code: 36/37/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 37/39-26-36
포장분류: III
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Hydroxy-3-methyl-5-nitropyridine serves as a coupling partner in Cu-catalyzed reactions with diaryliodonium salts to produce coupled products in 87% yield within 5 minutes[6]. The compound exhibits unreactivity in certain catalytic systems, attributed to the decreased nucleophilicity of the hydroxypyridine moiety[7].

상·하류 제품 정보

상류 원료

공급사50 곳

阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]

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

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

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

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