5-Nitropyrimidin-2-amine

HCID 76490CAS 3073-77-6

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Basic information

Standard SMILES: Nc1ncc([N+](=O)[O-])cn1
InChIKey: SSHFCFRJYJIJDV-UHFFFAOYSA-N
Molecular formula: C4H4N4O2
Average molar mass: 140.102 g/mol
Monoisotopic mass: 140.03342537

Names & identifiers

Preferred name: 5-Nitropyrimidin-2-amine
IUPAC: 5-Nitropyrimidin-2-amine
English name: 2-Amino-5-nitropyrimidine
Molecular formula: C4H4N4O2
Molecular weight: 140.1

Names & synonyms

5-nitropyrimidin-2-amineEnheptin PTIMTEC-BB SBB0041662-AMINO-5-NITROPRIDINE5-Nitro-2-pyrimidinamine5-Nitro-2-aminopyrimidine2-AMINO-5-NITROPYRIMIDINE2-Pyrimidinamine, 5-nitro-5-nitropyrimidin-2-ylamine5-Nitropyrimidine-2(1H)-imine

Database identifiers

CAS: 3073-77-6
PubChem CID: 76490
DTXSID: DTXSID00184753
EC Number: 221-348-1
Nikkaji: J4.355I

Properties

Physicochemical properties

Melting point: 235 · 235-237 °C(lit.)
Boiling point: 256.57 °C · 256.57°C (rough estimate)
Density: 1.5799 · 1.5799 (rough estimate)
refractive index: 1.801 · 1.8010 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Dimethylformamide
form: Fine Crystalline Powder
pka: 0.04 · 0.04±0.10(Predicted)
color: Light yellow
InChI: 1S/C4H4N4O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H,(H2,5,6,7)
InChIKey: SSHFCFRJYJIJDV-UHFFFAOYSA-N
SMILES: Nc1ncc(cn1)[N+]([O-])=O
CAS DataBase Reference: 3073 · 3073-77-6(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2-Amino-5-nitropyrimidine(3073-77-6)
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-P305+P351+P338-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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 · 26-37/39-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29335990 · 29335990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29335990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39-36
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-P305+P351+P338-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313