CAS No.10199-67-4,1-BENZYL-1H-PYRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10199-67-4
Name:	1-BENZYL-1H-PYRAZOLE
Article Data:	22

Formula:	C₁₀H₁₀N₂
Molecular Weight:	158.203
Synonyms:	Pyrazole,1-benzyl- (7CI,8CI);1-Benzylpyrazole;N-Benzylpyrazole;
Density:	1.041 g/cm³
Boiling Point:	287.765 °C at 760 mmHg
Flash Point:	127.836 °C
PSA:	17.82000
LogP:	1.93140

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Specification

The systematic name of 1H-Pyrazole,1-(phenylmethyl)- is 1-benzyl-1H-pyrazole. With the CAS registry number 10199-67-4, it is also named as N-Benzylpyrazole. The product's category is Heterocyclic Building Blocks. In addition, its molecular formula is C₁₀H₁₀N₂ and its molecular weight is 158.2.

The other characteristics of 1H-Pyrazole,1-(phenylmethyl)- can be summarized as: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.26; (6)ACD/BCF (pH 7.4): 13.27; (7)ACD/KOC (pH 5.5): 221.42; (8)ACD/KOC (pH 7.4): 221.47; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 50.54 cm³; (15)Molar Volume: 151.9 cm³; (16)Polarizability: 20.03×10^-24cm³; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.04 g/cm³; (19)Flash Point: 127.8 °C; (20)Enthalpy of Vaporization: 50.58 kJ/mol; (21)Boiling Point: 287.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00421 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: n1cccn1Cc2ccccc2
(2)InChI: InChI=1/C10H10N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h1-8H,9H2
(3)InChIKey: AKQAJYLKBCWJBV-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H10N2/c1-2-5-10(6-3-1)9-12-8-4-7-11-12/h1-8H,9H2
(5)Std. InChIKey: AKQAJYLKBCWJBV-UHFFFAOYSA-N