2-Methoxy-3-nitropyridine

HCID 253219CAS 20265-35-4

기본 정보

표준 SMILES: COc1ncccc1[N+](=O)[O-]
InChIKey: WZNQCVOSOCGWJG-UHFFFAOYSA-N
분자식: C6H6N2O3
평균 분자량: 154.12 g/mol
단동위원소 질량: 154.03784205

이름 및 식별자

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

이름 및 동의어

2-Methoxy-3-nitropyridineDTXSID90942384RefChem:87817DTXCID001370787654-159-1WZNQCVOSOCGWJG-UHFFFAOYSA-N20265-35-42-methoxy-3-nitro-pyridineMFCD00023459NSC75835Maybridge1_008636CCG-51466

이름 더 보기

3-Nitro-2-methoxypyridine2-Methoxy-3-nitropyridine>METHYL 3-NITRO-2-PYRIDINYL ETHER2-Methoxy-3-nitropyridine ISO 9001：2015 REACH

NSC-75835CS-W018056AC-5399DS-1340SB52485SY032655Pyridine, 2-methoxy-3-nitro-METHYL 3-NITRO-2-PYRIDINYL ETHER

데이터베이스 식별자

CAS: 20265-35-4
PubChem CID: 253219
DTXSID: DTXSID90942384
EC Number: 654-159-1
Nikkaji: J497.462J

물성

구조 계산 물성

XLogP: 1
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

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 53 · 53-55°C
끓는 점: 247.9 · 247.9±20.0 °C(Predicted)
밀도: 1.3 · 1.300±0.06 g/cm3(Predicted)
인화점: 110 ℃ · >110℃
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 0 · -0+-.0.10(Predicted)
색상: White to Amber
BRN: 138199 · 138199
InChI: InChI=1S/C6H6N2O3/c1-11-6-5(8(9)10)3-2-4-7-6/h2-4H,1H3
InChIKey: WZNQCVOSOCGWJG-UHFFFAOYSA-N
SMILES: C1(OC)=NC=CC=C1[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (88.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 43 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 (88.4%)

안전 데이터

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

화학 및 산업

응용 분야

용도2-Methoxy-3-nitropyridine is a pyridine compound used as a reagent in chemical reactions or as an intermediate component in organic synthesis. It can be reduced to amines and then converted to N-substituted derivatives.