2-Methyl-3-nitropyridine

HCID 329360CAS 18699-87-1

기본 정보

표준 SMILES: Cc1ncccc1[N+](=O)[O-]
InChIKey: CCFGTKQIRWHYTB-UHFFFAOYSA-N
분자식: C6H6N2O2
평균 분자량: 138.12 g/mol
단동위원소 질량: 138.04292743

이름 및 식별자

우선 이름: 2-Methyl-3-nitropyridine
IUPAC: 2-methyl-3-nitropyridine
영어명: 2-Methyl-3-nitropyridine
분자식: C6H6N2O2
분자량: 138.12

이름 및 동의어

2-Methyl-3-nitropyridineDTXSID10317136RefChem:475387DTXCID50268259805-108-918699-87-12-methyl-3-nitro-pyridine3-Nitro-2-picolineMFCD041141373-NITROPICOLINEnitropicolineSCHEMBL1232447

이름 더 보기

2-Methyl-3-nitropyri3-NITRO-2-METHYLPYRIDINE2-Methxy-3-nitropyridinePyridine, 2-Methyl-3-nitro-2-METHYL-3-NITROPYRIDINE 95%Pyridine, 2-methyl-3-nitro- (9CI)2-Methyl-3-nitropyridine , 3-nitropicoline

AC-5610SY008045Pyridine, 2-methylnitro-Pyridine, 2-methyl-3-nitroNSC311455A4138AM20050910FT-0649300

데이터베이스 식별자

CAS: 18699-87-1
PubChem CID: 329360
DTXSID: DTXSID10317136
EC Number: 805-108-9
Nikkaji: J843.795E

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 58.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 132

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 32 · 32-33°
끓는 점: 86 °C/5mmHg · 86°C/5mmHg(lit.)
밀도: 1.246 · 1.246±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to lump
산도 계수 (pKa): 1.92 · 1.92±0.10(Predicted)
색상: 밝은 노란색에서 갈색까지
InChI: InChI=1S/C6H6N2O2/c1-5-6(8(9)10)3-2-4-7-5/h2-4H,1H3
InChIKey: CCFGTKQIRWHYTB-UHFFFAOYSA-N
SMILES: C1(C)=NC=CC=C1[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H332 (33.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 3 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 (33.3%)

안전 데이터

HS 번호: 2933399990
risk_code: 22
hazard_code: Xn
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도2-Methyl-3-nitropyridine is used as a starting reagent to synthesize 3-substituted-4 or 6-azaindoles, and is also used as a reagent to prepare 3-azaindolyl-4-arylmalemides (compounds that exhibit antiproliferative activity).