2,4-Dichloro-6-methyl-3-nitropyridine

HCID 2784819

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 63897-12-1
표준 SMILES: Cc1cc(Cl)c([N+](=O)[O-])c(Cl)n1
InChIKey: MTGIKTMXZFIZLS-UHFFFAOYSA-N
분자식: C6H4Cl2N2O2
평균 분자량: 207.01 g/mol
단동위원소 질량: 205.96498273

이름 및 식별자

우선 이름: 2,4-Dichloro-6-methyl-3-nitropyridine
IUPAC: 2,4-dichloro-6-methyl-3-nitropyridine
영어명: 2,4-DICHLORO-6-METHYL-3-NITROPYRIDINE
분자식: C6H4Cl2N2O2
분자량: 207.01

이름 및 동의어

2,4-Dichloro-6-methyl-3-nitropyridine63897-12-1DTXSID30382821RefChem:246296DTXCID60333846859-980-0MFCD002185482,4-dichloro-6-methyl-3-nitro-pyridinePyridine, 2,4-dichloro-6-methyl-3-nitro-2,4-dichloro-3-nitro-6-methylpyridineSCHEMBL563664SCHEMBL29672031

이름 더 보기

Zinc02559133AURORA KA-32202,4-Dichloro-6-methyl-3-nitropyidine2,4-Dichloro-6-Mehtyl-3-nitro-pyridinePyridine,2,4-dichloro-6-Methyl-3-nitro-2,4-Dichloro-6-methyl-3-nitropyridine 98%2,4-DICHLORO-6-METHYL-3-NITROPYRIDINE ISO 9001：2015 REACH

MTGIKTMXZFIZLS-UHFFFAOYSA-NSBB0655562,4Dichloro-6-methyl-3-nitropyridineAKOS015842428AB04919CS-W0191994,6-dichloro-2-methyl-5-nitropyridineAC-25193

데이터베이스 식별자

CAS: 63897-12-1
PubChem CID: 2784819
DTXSID: DTXSID30382821
EC Number: 859-980-0
Nikkaji: J1.411.762H

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 58.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 185

물리화학적 성질

녹는점: 75 °C · 75 °C
끓는 점: 310 · 310.0±37.0 °C(Predicted)
밀도: 1.537 · 1.537±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -1.47 · -1.47±0.10(Predicted)
InChI: InChI=1S/C6H4Cl2N2O2/c1-3-2-4(7)5(10(11)12)6(8)9-3/h2H,1H3
InChIKey: MTGIKTMXZFIZLS-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC(Cl)=C1[N+]([O-])=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.