3-히드록시-6-메틸-2-니트로피리딘

6-Methyl-2-nitropyridin-3-ol

HCID 84801CAS 15128-90-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(O)c([N+](=O)[O-])n1
InChIKey: WZMGQHIBXUAYGS-UHFFFAOYSA-N
분자식: C6H6N2O3
평균 분자량: 154.12 g/mol
단동위원소 질량: 154.03784205

이름 및 식별자

우선 이름: 6-Methyl-2-nitropyridin-3-ol
IUPAC: 6-methyl-2-nitropyridin-3-ol
현지명: 3-히드록시-6-메틸-2-니트로피리딘
영어명: 3-Hydroxy-6-methyl-2-nitropyridine
분자식: C6H6N2O3
분자량: 154.12

이름 및 동의어

6-Methyl-2-nitropyridin-3-olEINECS 239-192-8WZMGQHIBXUAYGS-UHFFFAOYSA-DTXSID80164750NSC 102501RefChem:543837DTXCID9087241239-192-8InChI=1/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H33-Hydroxy-6-methyl-2-nitropyridine15128-90-23-Pyridinol, 6-methyl-2-nitro-

이름 더 보기

3-히드록시-6-메틸-2-니트로피리딘3-하이드록시-6-메틸-2-나이트로피리딘5-hydroxy-6-nitro-2-picoline3-Hydroxy-2-nitro-6-picoline6-methyl-2-nitro-3-pyridinolate6-METHYL-2-NITRO-3-HYDROXYPYRIDINE5-HYDROXY-2-METHYL-6-NITROPYRIDINE3-HYDROXY-6-METHYL-2-NITROPYRIDINE 99%

6-Methyl-2-nitro-3-pyridinolMFCD000062596-methyl-2-nitro-pyridin-3-ol8GL62944A8NSC-102501NSC102501SCHEMBL1871242-Nitro-6-methylpyridin-3-ol

데이터베이스 식별자

CAS: 15128-90-2
PubChem CID: 84801
DTXSID: DTXSID80164750
UNII: 8GL62944A8
EC Number: 239-192-8
Nikkaji: J236.637A

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 78.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 156

물리화학적 성질

녹는점: 106 · 106-107 °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: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 1.01 · 1.01±0.22(Predicted)
색상: Light orange to Yellow to Green
BRN: 974751 · 974751
InChI: InChI=1S/C6H6N2O3/c1-4-2-3-5(9)6(7-4)8(10)11/h2-3,9H,1H3
InChIKey: WZMGQHIBXUAYGS-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=NC(C)=CC=C1O

화학적 성질

yellow fine crystalline powder

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 45 reports by companies from 4 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: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도3-Hydroxy-6-methyl-2-nitropyridine was used in the synthesis of 3-methoxy-6-methyl-2-nitropyridine.Molecular structure and corresponding vibrational assignments of 3-hydroxy-6-methyl-2-nitropyridine have been investigated using density functional theory (DFT).

일반 설명Molecular structure and corresponding vibrational assignments of 3-hydroxy-6-methyl-2-nitropyridine have been investigated using density functional theory (DFT).