CAS 2789-25-5 2-Chloro-3-nitropyridin-4-amine (HCID 10965014)

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Basic information

CAS: 2789-25-5
Standard SMILES: Nc1ccnc(Cl)c1[N+](=O)[O-]
InChIKey: PDQAWJXOYURKPI-UHFFFAOYSA-N
Molecular formula: C5H4ClN3O2
Average molar mass: 173.56 g/mol
Monoisotopic mass: 172.99920405

Names & identifiers

Preferred name: 2-Chloro-3-nitropyridin-4-amine
IUPAC: 2-chloro-3-nitropyridin-4-amine
English name: 4-Amino-2-chloro-3-nitropyridine
Molecular formula: C5H4ClN3O2
Molecular weight: 173.56

Names & synonyms

2-Chloro-3-nitropyridin-4-amineRefChem:468735811-777-84-Amino-2-chloro-3-nitropyridine2789-25-5MFCD073688982-chloro-3-nitro-pyridin-4-amine4-Pyridinamine,2-chloro-3-nitro-2-CHLORO-3-NITRO-4-PYRIDINAMINEAB321514-PYRIDINAMINE, 2-CHLORO-3-NITRO-FT-0649199

Show more names

2-chloro-3-nitro-4-Amino-3-nitro-2-chloropyridine2-Chloro-4-aMino-3-nitropyridine2-Chloro-3-nitro-pyridin-4-ylaMine2-Chloro-3-nitropyridin-4-amine ,98%

SCHEMBL203785SCHEMBL306226362-chloro-3-nitro-4-pyridylamineDTXSID904500152-chloro-3-nitro-4-aminopyridineCS-D0718CL0270SBB065325

Database identifiers

CAS: 2789-25-5
PubChem CID: 10965014
DTXSID: DTXSID90450015
EC Number: 811-777-8
Nikkaji: J985.078C

Properties

Computed structural properties

XLogP: 1.5
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: 160

Physicochemical properties

Melting point: 205 · 205-207 °C (decomp)
Boiling point: 392.8 · 392.8±37.0 °C(Predicted)
Density: 1.596 · 1.596±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: powder to crystal
pka: 0.63 · 0.63±0.42(Predicted)
color: White to Yellow
λmax: 238 nm · 238nm(H2O)(lit.)
CAS DataBase Reference: 2789 · 2789-25-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-43-36/37/38

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

hs_code: 29333990
risk_code: 22-43-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 36/37-37/39-26
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications · 1 item

Uses4-Amino-2-chloro-3-nitropyridine is used as a reagent in the synthesis of imidazopyridine-based fatty acid synthase inhibitors which show anti-HCV activity. Also used as a reagent in the synthesis of acyclic nucleotides that are related to clitocine, which exhibit antiviral activity.