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1H-Pyrazole,1-[4-(bromomethyl)phenyl]-

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Name

1H-Pyrazole,1-[4-(bromomethyl)phenyl]-

EINECS N/A
CAS No. 368869-85-6 Density 1.44 g/cm3
PSA 17.82000 LogP 2.76720
Solubility N/A Melting Point 77-79 °C
Formula C10H9BrN2 Boiling Point 315.3 °C at 760 mmHg
Molecular Weight 237.1 Flash Point 144.5 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36/37/39-45 Risk Codes 36/37/38-34
Molecular Structure Molecular Structure of 368869-85-6 (1-[4-(BROMOMETHYL)PHENYL]-1H-PYRAZOLE) Hazard Symbols CorrosiveC
Synonyms

1-[4-(Bromomethyl)phenyl]-1H-pyrazole;

 

1H-Pyrazole,1-[4-(bromomethyl)phenyl]- 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

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