CAS No.368869-85-6,1-[4-(BROMOMETHYL)PHENYL]-1H-PYRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	368869-85-6
Name:	1-[4-(BROMOMETHYL)PHENYL]-1H-PYRAZOLE

Formula:	C₁₀H₉BrN₂
Molecular Weight:	237.1
Synonyms:	1-[4-(Bromomethyl)phenyl]-1H-pyrazole;
Density:	1.44 g/cm³
Melting Point:	77-79 °C
Boiling Point:	315.3 °C at 760 mmHg
Flash Point:	144.5 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	C
Risk Codes:	36/37/38-34
Safety:	26-36/37/39-45
PSA:	17.82000
LogP:	2.76720

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Specification

The 1H-Pyrazole,1-[4-(bromomethyl)phenyl]- is an organic compound with the formula C₁₀H₉BrN₂. The systematic name of this chemical is 1-[4-(bromomethyl)phenyl]-1H-pyrazole. With the CAS registry number 368869-85-6, it is also named as 4-(1H-Pyrazol-1-yl)benzyl bromide.

Physical properties about 1H-Pyrazole,1-[4-(bromomethyl)phenyl]- are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 81.35; (5)ACD/BCF (pH 7.4): 81.35; (6)ACD/KOC (pH 5.5): 811.07; (7)ACD/KOC (pH 7.4): 811.08; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.82 Å²; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 58.09 cm³; (13)Molar Volume: 164.5 cm³; (14)Polarizability: 23.03×10^-24cm³; (15)Surface Tension: 45.8 dyne/cm; (16)Density: 1.44 g/cm³; (17)Flash Point: 144.5 °C; (18)Enthalpy of Vaporization: 53.44 kJ/mol; (19)Boiling Point: 315.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000816 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccc(cc1)n2nccc2
(2)InChI: InChI=1/C10H9BrN2/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8H2
(3)InChIKey: PHNRBSHOFSWNII-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H9BrN2/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8H2
(5)Std. InChIKey: PHNRBSHOFSWNII-UHFFFAOYSA-N