CAS 21901-29-1 2-Amino-6-methyl-3-nitropyridine (HCID 226028)

Substructure search Find similar structures

Basic information

CAS: 21901-29-1
Standard SMILES: Cc1ccc([N+](=O)[O-])c(N)n1
InChIKey: LCJXSRQGDONHRK-UHFFFAOYSA-N
Molecular formula: C6H7N3O2
Average molar mass: 153.14 g/mol
Monoisotopic mass: 153.05382646

Names & identifiers

Preferred name: 2-Amino-6-methyl-3-nitropyridine
IUPAC: 6-methyl-3-nitropyridin-2-amine
English name: 2-Amino-3-nitro-6-picoline
Molecular formula: C6H7N3O2
Molecular weight: 153.14

Names & synonyms

2-Amino-6-methyl-3-nitropyridineRefChem:464785691-453-921901-29-12-Amino-3-nitro-6-picoline6-methyl-3-nitropyridin-2-amine2-amino-3-nitro-6-methylpyridine6-Amino-5-nitro-2-picoline6-methyl-3-nitro-pyridin-2-ylamineMFCD000474436-Methyl-3-nitro-2-pyridinamine2-amino-3-nitro-6-methyl pyridine

Show more names

6-AMINO-5-NITRO-2-PICOLINE,98%6-Methyl-3-nitropyridine-2-amine2-Amino-6-methyl-3-nitropyridine 95%

2-amino-3-nitro-6-methyl-pyridineGEO-00190AKOS002676260DS-0471Z12031624102-PYRIDINAMINE, 6-METHYL-3-NITRO-BCP22134NSC16024

Database identifiers

CAS: 21901-29-1
PubChem CID: 226028
DTXSID: DTXSID10280230
EC Number: 691-453-9
Nikkaji: J83.112C

Properties

Computed structural properties

XLogP: 1.3
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: 147 · 147-157 °C
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: 2.5 · 2.50±0.50(Predicted)
color: Yellow
Water Solubility: Slightly soluble in water.
InChI: 1S/C6H7N3O2/c1-4-2-3-5(9(10)11)6(7)8-4/h2-3H,1H3,(H2,7,8)
InChIKey: LCJXSRQGDONHRK-UHFFFAOYSA-N
SMILES: CC1=NC(N)=C([N+]([O-])=O)C=C1
CAS DataBase Reference: 21901 · 21901-29-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-20/21/22
Signal word: Danger
Symbol(GHS): GHS08,GHS07,GHS05
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 36/37/39-26-22-36
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H334-H318-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2
Precautionary statements: P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P342+P311