2-Amino-4-methyl-3-nitropyridine

HCID 243166CAS 6635-86-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccnc(N)c1[N+](=O)[O-]
InChIKey: IKMZGACFMXZAAT-UHFFFAOYSA-N
분자식: C6H7N3O2
평균 분자량: 153.14 g/mol
단동위원소 질량: 153.05382646

개요

structure in first source

이름 및 식별자

우선 이름: 2-Amino-4-methyl-3-nitropyridine
IUPAC: 4-methyl-3-nitropyridin-2-amine
영어명: 2-Amino-3-nitro-4-picoline
분자식: C6H7N3O2
분자량: 153.14

이름 및 동의어

2-Amino-4-methyl-3-nitropyridine6635-86-5DTXSID80287771RefChem:464324DTXCID10238918626-702-24-methyl-3-nitropyridin-2-amine2-Amino-3-nitro-4-picoline2-Pyridinamine, 4-methyl-3-nitro-4-methyl-3-nitro-pyridin-2-ylamineMFCD000063154-methyl-3-nitro-pyridin-2-amine

이름 더 보기

NSC 52453TIMTEC-BB SBB0066364-METHYL-3-NITRO-PYRI2-AMino-4-Methyl-3-nitrop...2-Amino-3-nitro-4-picoline,98%4-Methyl-3-nitro-2-pyridinamine2-amin-3-nitro-4-methylpyridine3-Nitro-4-methyl-2-pyridinamine

CHEMBL39817274-methyl-3-nitro-2-pyridylamine4-Methyl-3-nitropyridine-2-amineAKOS0051455942-Amino-3-Nitro-4-Methylpyridine2-amino-4-methyl-3-nitro-pyridine2-amino-4-methyl-3-nitro pyridine4mrz

데이터베이스 식별자

CAS: 6635-86-5
PubChem CID: 243166
DTXSID: DTXSID80287771
ChEMBL: CHEMBL3981727
EC Number: 626-702-2
Nikkaji: J2.876.092B、J81.259E

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 84.7 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: 136 · 136-140 °C(lit.)
끓는 점: 276.04 °C · 276.04°C (rough estimate)
밀도: 1.3682 · 1.3682 (rough estimate)
굴절률: 1.65 · 1.6500 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 결정성 분말
산도 계수 (pKa): 2.97 · 2.97±0.47(Predicted)
색상: 노란색
BRN: 139111 · 139111
InChI: InChI=1S/C6H7N3O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3,(H2,7,8)
InChIKey: IKMZGACFMXZAAT-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(C)=C1[N+]([O-])=O
NIST: 2 · Pyridine, 2-amino-3-nitro-4-methyl-(6635-86-5)

화학적 성질

light yellow crystal 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 46 reports by companies from 6 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: 29333999
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-22
위험 등급: IRRITANT
F 고인화성물질: 10
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2-Amino-4-methyl-3-nitropyridine was used in the synthesis of 2-amino-5-hydroxy-4-methyl-3-nitropyridine, 2-amino-4-hydroxymethyl-3-nitropyridine and 2-amino-4-methyl-3-nitropyridine-1-oxide by undergoing biotransformation by Cunninghamella elegans ATCC 26269.

일반 설명The crystal structure of 2-amino-4-methyl-3-nitropyridine was elucidated.