2-Amino-4-methyl-3-nitropyridine (HCID 243166)

Overview

structure in first source

Names & identifiers

Preferred name: 2-Amino-4-methyl-3-nitropyridine
IUPAC: 4-methyl-3-nitropyridin-2-amine
English name: 2-Amino-3-nitro-4-picoline
Molecular formula: C6H7N3O2
Molecular weight: 153.14

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.2
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: 136 · 136-140 °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
form: Crystalline Powder
pka: 2.97 · 2.97±0.47(Predicted)
color: Yellow
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
CAS DataBase Reference: 6635 · 6635-86-5(CAS DataBase Reference)
NIST Chemistry Reference: 2 · Pyridine, 2-amino-3-nitro-4-methyl-(6635-86-5)
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 · 26-36-36/37/39-22
WGK Germany: 3 · 3
F: 10 · 10
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 46 reports by companies from 6 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

F: 10
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: 26-36-36/37/39-22
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 · 2 items

Uses2-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.

General DescriptionThe crystal structure of 2-amino-4-methyl-3-nitropyridine was elucidated.