2-히드록시-4-메틸-5-니트로피리딘

4-Methyl-5-nitro-1,2-dihydropyridin-2-one

HCID 345371CAS 21901-41-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(=O)[nH]cc1[N+](=O)[O-]
InChIKey: AIEHUZHKFUNHCJ-UHFFFAOYSA-N
분자식: C6H6N2O3
평균 분자량: 154.12 g/mol
단동위원소 질량: 154.03784205

이름 및 식별자

우선 이름: 4-Methyl-5-nitro-1,2-dihydropyridin-2-one
IUPAC: 4-methyl-5-nitro-1H-pyridin-2-one
현지명: 2-히드록시-4-메틸-5-니트로피리딘
영어명: 2-Hydroxy-4-methyl-5-nitropyridine
분자식: C6H6N2O3
분자량: 154.12

이름 및 동의어

4-methyl-5-nitro-1,2-dihydropyridin-2-oneRefChem:525345626-040-42-Hydroxy-4-methyl-5-nitropyridine21901-41-74-methyl-5-nitropyridin-2-ol2-Hydroxy-5-nitro-4-picoline4-methyl-5-nitro-1H-pyridin-2-one4-Methyl-5-nitropyridin-2(1H)-oneMFCD00010690C6H6N2O34-Methyl-5-nitro-2-pyridinol

이름 더 보기

2-히드록시-4-메틸-5-니트로피리딘2-HYDROXY-5-NI5-NITRO-4-PICOLIN-2-OL4-METHYL-5-NITRO-2-PYRIDONE4-Methyl-5-nitro-2-pyridinone2-Hydroxy-4-Methyl-5-Nitropyri4-METHYL-5-NITRO-2(1H)-PYRIDINONE

2-Hyrdoxy-4-Methyl-5-NitropyridineSCHEMBL8010812-Hydroxy-4-methyl-5-nitropyridine, 98%AKOS005257669NSC 4029872-hydroxy-5-nitro-4-methylpyridine2(1H)-Pyridinone, 4-methyl-5-nitro-2-hydroxy-4-methyl-5-nitro pyridine

데이터베이스 식별자

CAS: 21901-41-7
PubChem CID: 345371
DTXSID: DTXSID90323078
EC Number: 626-040-4
Nikkaji: J1.183.922C

물성

구조 계산 물성

XLogP: -0.3
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: 186 · 186-190 °C (lit.)
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: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
산도 계수 (pKa): 8.1 · 8.10±0.10(Predicted)
색상: 노란색에서 주황색으로
BRN: 136900 · 136900
InChI: 1S/C6H6N2O3/c1-4-2-6(9)7-3-5(4)8(10)11/h2-3H,1H3,(H,7,9)
InChIKey: AIEHUZHKFUNHCJ-UHFFFAOYSA-N
SMILES: Cc1cc(O)ncc1[N+]([O-])=O

화학적 성질

Orange plates

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (12.8%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (12.8%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29337900
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39-36
포장분류: III
위험 등급: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명The conformational stability and the vibartional analysis of 2-hydroxy-4-methyl-5-nitropyridine was studied.

상·하류 제품 정보

상류 원료

2-Amino-5-nitro-4-picoline 2-METHOXY-5-NITRO-4-PICOLINE

하류 제품

3-AMINO-6-CHLORO-4-PICOLINE 2-Bromo-5-nitro-4-picoline 3-Fluoropyridine-4-carboxylic acid 2-METHOXY-5-NITRO-4-PICOLINE 4-{5-니트로-4-메틸-2-피리디닐}모르폴린

공급사50 곳

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]

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

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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

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