CAS 100367-40-6 2-Amino-5-bromo-4-methyl-3-nitropyridine (HCID 7213207)

Substructure search Find similar structures

Basic information

CAS: 100367-40-6
Standard SMILES: Cc1c(Br)cnc(N)c1[N+](=O)[O-]
InChIKey: KFVGEPWMVKZPND-UHFFFAOYSA-N
Molecular formula: C6H6BrN3O2
Average molar mass: 232.03 g/mol
Monoisotopic mass: 230.96433853

Names & identifiers

Preferred name: 2-Amino-5-bromo-4-methyl-3-nitropyridine
IUPAC: 5-bromo-4-methyl-3-nitropyridin-2-amine
English name: 2-Amino-5-bromo-4-methyl-3-nitropyridine
Molecular formula: C6H6BrN3O2
Molecular weight: 232.03

Names & synonyms

2-Amino-5-bromo-4-methyl-3-nitropyridine100367-40-6DTXSID40428426RefChem:464524DTXCID20379260634-469-35-bromo-4-methyl-3-nitropyridin-2-amine2-Amino-5-bromo-3-nitro-4-picolineMFCD000921972-PYRIDINAMINE, 5-BROMO-4-METHYL-3-NITRO-5-bromo-4-methyl-3-nitro-pyridin-2-amineEN300-134408

Show more names

2-Ami2-Amino-5-Bromo-4methyl-3-Np2-AMINO-3-NITRO-5-BROMO-4-PICOLINE2-Amino-5-bromo-3-nitro-GAMMA-picoline5-bromo-4-methyl-3-nitro-2-Pyridinamine2-AMino-5-broMo-3-nitro-4-picoline 98%2-AMINO-3-NITRO-4-METHYL-5-BROMOPYRIDINE

CS-M1656AKOS007930477AC-230982-amino-5-bromo-3-nitro-4-methyl-pyridine5-Bromo-4-methyl-3-nitropyridin-2-amine; 2-Amino-5-bromo-3-nitro-4-picoline; 5-Bromo-4-methyl-3-nitro-2-pyridinamine; 2-Amino-5-bromo-3-nitro-4-methylpyridine; 2-Amino-5-bromo-4-methyl-3-nitropyridine; 5-Bromo-4-methyl-3-nitropyridin-2-amineBCP234115-bromo-4-methyl-3-nitro-2-pyridylamineAM20050600

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 160 · 160-164
Boiling point: 314.1 · 314.1±37.0 °C(Predicted)
Density: 1.795 · 1.795±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
pka: 0.78 · 0.78±0.50(Predicted)
form: powder to crystal
color: Light yellow to Brown
CAS DataBase Reference: 100367 · 100367-40-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2933399990 · 2933399990

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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

CSL Reaction Information · 6 items

CSL00045

SODIUM NITRITE + 2-AMINO-5-BROMO-4-METHYL-3-NITROPYRIDINE

Uncontrollable, slow 'foaming' of reaction contents during addition of sodium nitrite

Corrosive,Explosive,Harmful

HeteroAryl Amine

M (up to 100g)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications · 1 item

Uses2-Amino-5-bromo-4-methyl-3-nitropyridine is a pyridine derivative. Its molecular structure contains reactive groups of bromine atoms, amino groups and nitric acid, which can be used in a variety of chemical reactions, such as substitution, condensation, and nitro-reduction reactions. It is mainly used in organic synthesis or pharmaceutical intermediates.