CAS 4487-50-7 2-Amino-4-nitropyridine (HCID 2762822)

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Basic information

CAS: 4487-50-7
Standard SMILES: Nc1cc([N+](=O)[O-])ccn1
InChIKey: DBDHHHBAZZYVJG-UHFFFAOYSA-N
Molecular formula: C5H5N3O2
Average molar mass: 139.11 g/mol
Monoisotopic mass: 139.03817641

Names & identifiers

Preferred name: 2-Amino-4-nitropyridine
IUPAC: 4-nitropyridin-2-amine
English name: 4-Nitro-pyridin-2-ylamine
Molecular formula: C5H5N3O2
Molecular weight: 139.11

Names & synonyms

2-AMINO-4-NITROPYRIDINERefChem:464356636-940-94-nitropyridin-2-amine4487-50-7MFCD041141484-Nitro-pyridin-2-ylamine4-Nitro-2-pyridinamine4-nitro-2-pyridylamineSCHEMBL345273SCHEMBL1917858SCHEMBL3311690

Show more names

2-PyridinaMine, 4-nitro-2-Amino-4-nitropyridine97%2-AMINO-4-NITROPYRIDINE 97%2-Pyridinamine,4-nitro-(9CI)4-NITRO-PYRIDIN-2-YLAMINE ISO 9001：2015 REACH

SCHEMBL11546949DTXSID90376483DBDHHHBAZZYVJG-UHFFFAOYSA-NSBB065331AKOS010978429AB17924CS-W019623PS-3669

Database identifiers

CAS: 4487-50-7
PubChem CID: 2762822
DTXSID: DTXSID90376483
EC Number: 636-940-9
Nikkaji: J3.079.496F

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 133

Physicochemical properties

Melting point: 96 °C · 96 °C
Boiling point: 339 · 339.0±22.0 °C(Predicted)
Density: 1.437 · 1.437±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
pka: 3.43 · 3.43±0.11(Predicted)
color: Light yellow to orange
CAS DataBase Reference: 4487 · 4487-50-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Safety Statements: 22 · 22-24/25
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 1.4% (1 of 69) of reports.

Warning

H302 (97.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (98.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 69 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 69 reports by companies.；There are 3 notifications provided by 68 of 69 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.