3-(furan-2-yl)-1H-pyrazol-5-amine

HCID 523183

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Basic information

CAS: 96799-02-9
Standard SMILES: Nc1cc(-c2ccco2)[nH]n1
InChIKey: XJNZHICOWTVWOX-UHFFFAOYSA-N
Molecular formula: C7H7N3O
Average molar mass: 149.15 g/mol
Monoisotopic mass: 149.05891184

Names & identifiers

Preferred name: 3-(furan-2-yl)-1H-pyrazol-5-amine
IUPAC: 5-(furan-2-yl)-1H-pyrazol-3-amine
English name: 3-(2-FURYL)-1H-PYRAZOL-5-AMINE
Molecular formula: C7H7N3O
Molecular weight: 149.15

Names & synonyms

3-(Furan-2-yl)-1H-pyrazol-5-amineRefChem:495228673-067-296799-02-95-(furan-2-yl)-1H-pyrazol-3-amine3-Amino-5-(2-furyl)pyrazole3-(2-Furyl)-1H-Pyrazol-5-Amine5-Amino-3-(2-furyl)pyrazole5-(2-Furyl)-1H-pyrazol-3-amineMFCD00082696CHEMBL16882142413282-68-3

Show more names

BUTTPARK 33\04-37TIMTEC-BB SBB0054965-AMINO-3-FUR-2-YLPYRAZOLE5-Amino-3-(2-furyl)-1H-pyrazole5-(Fur-2-yl)-1H-pyrazol-3-amine

3-Amino-5-(2-furyl)-1H-pyrazole5-(2-furanyl)-1H-pyrazol-3-amine5-amino-3-(fur-2-yl)-1h-pyrazolefuranyl-5-aminopyrazoleSCHEMBL570420SCHEMBL6450613-(2-Furyl)pyrazol-5-amine3-(2-furyl)pyrazole-5-ylamine

Database identifiers

CAS: 96799-02-9
PubChem CID: 523183
DTXSID: DTXSID70335159
ChEMBL: CHEMBL1688214
EC Number: 673-067-2
Nikkaji: J2.372.847H、J364.727G

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 67.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 142

Physicochemical properties

Melting point: 126 · 126-130 °C(lit.)
Boiling point: 429.9 · 429.9±35.0 °C(Predicted)
Density: 1.339 · 1.339±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: crystalline powder
pka: 14.8 · 14.80±0.10(Predicted)
color: Brown
Water Solubility: Insoluble in water.
BRN: 4399373 · 4399373
CAS DataBase Reference: 96799 · 96799-02-9(CAS DataBase Reference)
UNSPSC Code: 12352116 · 12352116
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.