CAS No.17635-45-9,4-(1H-Pyrazol-1-yl)aniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17635-45-9
Name:	4-(1H-Pyrazol-1-yl)aniline
Article Data:	21

Formula:	C₉H₉N₃
Molecular Weight:	159.191
Synonyms:	Pyrazole,1-(p-aminophenyl)- (6CI,8CI);1-(4-Aminophenyl)pyrazole;1-(4'-Aminophenyl)-1H-pyrazole;1-(p-Aminophenyl)pyrazole;4-(1H-Pyrazol-1-yl)aniline;4-(1H-Pyrazol-1-yl)benzenamine;4-1H-Pyrazol-1-ylphenylamine;[4-(Pyrazol-1-yl)phenyl]amine;
Density:	1.2 g/cm³
Melting Point:	54 °C
Boiling Point:	311.978 °C at 760 mmHg
Flash Point:	142.479 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	43.84000
LogP:	2.03570

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Specification

The Benzenamine,4-(1H-pyrazol-1-yl)-, with CAS registry number 17635-45-9, belongs to the following product categories: (1)Amines and Anilines; (2)Heterocycles. It has the systematic name of 4-(1H-pyrazol-1-yl)aniline. And the chemical formula of this chemical is C₉H₉N₃.

Physical properties of Benzenamine,4-(1H-pyrazol-1-yl)-: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.47; (6)ACD/BCF (pH 7.4): 2.53; (7)ACD/KOC (pH 5.5): 66.03; (8)ACD/KOC (pH 7.4): 67.66; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 47.84 cm³; (15)Molar Volume: 132.6 cm³; (16)Polarizability: 18.96×10^-24cm³; (17)Surface Tension: 50.3 dyne/cm; (18)Enthalpy of Vaporization: 55.29 kJ/mol; (19)Vapour Pressure: 0.000545 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4-(1H-pyrazol-1-yl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccn1c2ccc(N)cc2
(2)InChI: InChI=1/C9H9N3/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H,10H2
(3)InChIKey: CSFIQHZIFKIQNO-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H9N3/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H,10H2
(5)Std. InChIKey: CSFIQHZIFKIQNO-UHFFFAOYSA-N