4-Amino-1H-pyrazole supplier | CasNO.28466-26-4

Name
1H-PYRAZOL-4-YLAMINE
EINECS 625-292-2
CAS No. 28466-26-4
Article Data36
CAS DataBase
Density 1.313g/cm³
Solubility
Melting Point 75-77°C
Formula C₃H₅N₃
Boiling Point 334.5°C at 760mmHg
Molecular Weight 83.0928
Flash Point 182.6°C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Pyrazole,4-amino- (7CI,8CI);1H-Pyrazol-4-ylamine;4-Amino-1H-pyrazole;4-Aminopyrazole;
PSA 54.70000
LogP 0.57310

4-Amino-1H-pyrazole Specification

The CAS register number of 4-Amino-1H-pyrazole is 28466-26-4. It also can be called as 4-Aminopyrazole and the Systematic name about this chemical is 1H-pyrazol-4-amine.

Physical properties about 4-Amino-1H-pyrazole are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5.83; (5)ACD/KOC (pH 7.4): 6.079; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 54.7Å²; (10)Index of Refraction: 1.648; (11)Molar Refractivity: 23.013 cm³; (12)Molar Volume: 63.26 cm³; (13)Surface Tension: 76.131 dyne/cm; (14)Density: 1.313 g/cm³; (15)Flash Point: 182.569 °C; (16)Enthalpy of Vaporization: 57.746 kJ/mol; (17)Boiling Point: 334.493 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: c1c(cn[nH]1)N
2.InChI: InChI=1/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)
3.InChIKey: AXINVSXSGNSVLV-UHFFFAOYAB
4.Std. InChI: InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	> 800mg/kg (800mg/kg)		Farmaco, Edizione Scientifica. Vol. 25, Pg. 592, 1970.

Product Name

1H-PYRAZOL-4-YLAMINE

4-Amino-1H-pyrazole Specification

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