2-Amino-4-methyl-5-nitropyridine

HCID 243165CAS 21901-40-6

기본 정보

표준 SMILES: Cc1cc(N)ncc1[N+](=O)[O-]
InChIKey: GRBBNZYMXKTQAI-UHFFFAOYSA-N
분자식: C6H7N3O2
평균 분자량: 153.14 g/mol
단동위원소 질량: 153.05382646

이름 및 식별자

우선 이름: 2-Amino-4-methyl-5-nitropyridine
IUPAC: 4-methyl-5-nitropyridin-2-amine
영어명: 2-Amino-5-nitro-4-picoline
분자식: C6H7N3O2
분자량: 153.14

이름 및 동의어

2-Amino-4-methyl-5-nitropyridineDTXSID20287770RefChem:464325DTXCID50238917624-887-421901-40-64-methyl-5-nitropyridin-2-amine2-Amino-5-nitro-4-picoline4-Methyl-5-nitro-2-pyridinamine2-AMINO-5-NITRO-4-METHYLPYRIDINEMFCD000106922-PYRIDINAMINE, 4-METHYL-5-NITRO-

이름 더 보기

2-Amino-5-nitro-4-picoline,98%2-AMiono-4Methyl-5Nitropyridine2-Amino-4-Mythyl-5-NitroPyridine4-Methyl-5-nitropyridine-2-amine2-Pyridinamine,4-methyl-5-nitro-

4-METHYL-5-NITRO-PYRIDIN-2-YLAMINESCHEMBL474593MLS0026675392-amino-4-methyl-5-nitropyridinHMS3079C144-Methyl-5-nitro-2-pyridinamine #HY-W002060AC-1722

데이터베이스 식별자

CAS: 21901-40-6
PubChem CID: 243165
DTXSID: DTXSID20287770
ChEMBL: CHEMBL3187059
EC Number: 624-887-4
Nikkaji: J83.113A

물성

구조 계산 물성

XLogP: 0.7
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: 223 · 223-225 °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
용해도: DMSO에 용해됩니다.
산도 계수 (pKa): 3.44 · 3.44±0.24(Predicted)
물리적 상태: 가루
색상: 주황색~황갈색
BRN: 137695 · 137695
InChI: InChI=1S/C6H7N3O2/c1-4-2-6(7)8-3-5(4)9(10)11/h2-3H,1H3,(H2,7,8)
InChIKey: GRBBNZYMXKTQAI-UHFFFAOYSA-N
SMILES: C1(N)=NC=C([N+]([O-])=O)C(C)=C1

화학적 성질

orange to yellow-brown 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 76 reports by companies from 8 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: 26-37/39-36/37/39-22-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Amino-4-methyl-5-nitropyridine was used in the preparation of matrix mixture required to study new technical developments for the direct tissue analysis of peptides.

일반 설명The crystal structure of 2-amino-4-methyl-5-nitropyridine was elucidated.