3-Methoxy-2-nitropyridine

HCID 556063CAS 20265-37-6

기본 정보

표준 SMILES: COc1cccnc1[N+](=O)[O-]
InChIKey: LSXHCFSGOBFNDX-UHFFFAOYSA-N
분자식: C6H6N2O3
평균 분자량: 154.12 g/mol
단동위원소 질량: 154.03784206

이름 및 식별자

우선 이름: 3-Methoxy-2-nitropyridine
IUPAC: 3-methoxy-2-nitropyridine
영어명: 3-Methoxy-2-nitropyridine
분자식: C6H6N2O3
분자량: 154.12

이름 및 동의어

3-Methoxy-2-nitropyridine20265-37-6DTXSID70339415RefChem:503080DTXCID70290496606-480-32-Nitro-3-methoxypyridine3-methoxy-2-nitro-pyridineMFCD002222763-methoxy-2-nitropyridinPYRIDINE, 3-METHOXY-2-NITRO-2-Nitro-2-methoxypyridine

이름 더 보기

3M2NPmethoxynitropyridineMethoxy-2-nitropyridMethoxy-2-nitropyridine3-METHOXYL-2-NITROPYRIDINE3-Methoxy-2-nitropyridine>Pyridine, 3-methoxy-2-nitro-3-Methoxy-2-nitropyridine 99%

SCHEMBL84373-Methoxy-2-nitropyridine #3-(methyloxy)-2-nitropyridineSCHEMBL8789338SCHEMBL252880453-Methoxy-2-nitropyridine, 98%BBL009976SBB055722

데이터베이스 식별자

CAS: 20265-37-6
PubChem CID: 556063
DTXSID: DTXSID70339415
EC Number: 606-480-3

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 67.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 145

물리화학적 성질

녹는점: 73 · 73-76 °C (lit.)
끓는 점: 311.8 · 311.8±22.0 °C(Predicted)
밀도: 1.3 · 1.300±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): -6.34 · -6.34±0.10(Predicted)
색상: White to Yellow to Green
InChI: InChI=1S/C6H6N2O3/c1-11-5-3-2-4-7-6(5)8(9)10/h2-4H,1H3
InChIKey: QRCUQLANPHYVEH-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=NC=CC=C1OC

화학적 성질

White to yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.