2-Amino-4-methyl-5-nitropyridine (HCID 243165)

Names & identifiers

Preferred name: 2-Amino-4-methyl-5-nitropyridine
IUPAC: 4-methyl-5-nitropyridin-2-amine
English name: 2-Amino-5-nitro-4-picoline
Molecular formula: C6H7N3O2
Molecular weight: 153.14

Names & synonyms

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-

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 156

Physicochemical properties

Melting point: 223 · 223-225 °C (lit.)
Boiling point: 276.04 °C · 276.04°C (rough estimate)
Density: 1.3682 · 1.3682 (rough estimate)
refractive index: 1.65 · 1.6500 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Soluble in DMSO.
pka: 3.44 · 3.44±0.24(Predicted)
form: Powder
color: Orange to yellow-brown
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
CAS DataBase Reference: 21901 · 21901-40-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-37/39-36/37/39-22-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29333999 · 29333999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29333999
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39-22-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-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.

General DescriptionThe crystal structure of 2-amino-4-methyl-5-nitropyridine was elucidated.