CAS No.2116-36-1,4-Bromodiphenylmethane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2116-36-1
Name:	4-Bromodiphenylmethane
Article Data:	62

Formula:	C₁₃H₁₁Br
Molecular Weight:	247.134
Synonyms:	Methane,(p-bromophenyl)phenyl- (6CI,7CI,8CI);(4-Bromophenyl)phenylmethane;Phenyl(p-bromophenyl)methane;(p-Bromophenyl)phenylmethane;1-Benzyl-4-bromobenzene;4-Bromodiphenylmethane;NSC 38004;p-Bromobenzylbenzene;p-Bromodiphenylmethane;
Density:	1.335g/cm³
Melting Point:	110-112 °C
Boiling Point:	315.4 °C at 760 mmHg
Flash Point:	143.5 °C
Hazard Symbols:	36/37/38:;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	0.00000
LogP:	4.03990

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Specification

The Benzene,1-bromo-4-(phenylmethyl)-, with CAS registry number 2116-36-1, has the systematic name of 1-benzyl-4-bromobenzene. Besides this, it is also called 4-Bromodiphenylmethane. And the chemical formula of this chemical is C₁₃H₁₁Br.

Physical properties of Benzene,1-bromo-4-(phenylmethyl)-: (1)ACD/LogP: 4.98; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 0 Å²; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 63.25 cm3; (9)Molar Volume: 185 cm³; (10)Polarizability: 25.07×10^-24cm³; (11)Surface Tension: 41.2 dyne/cm; (12)Density: 1.335 g/cm³; (13)Flash Point: 143.5 °C; (14)Enthalpy of Vaporization: 53.45 kJ/mol; (15)Boiling Point: 315.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000812 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-bromo-benzophenone. This reaction will need reagent aq. HI, phosphorus.

Uses of Benzene,1-bromo-4-(phenylmethyl)-: it can be used to produce 4-benzyl-benzonitrile. This reaction will need reagent copper (I) cyanide and solvent dimethylformamide. The reaction time is 4 hour(s). The yield is about 51%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-4-(phenylmethyl)- 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: Brc1ccc(cc1)Cc2ccccc2
(2)InChI: InChI=1/C13H11Br/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
(3)InChIKey: NNEOYCMCJMLRSD-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H11Br/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
(5)Std. InChIKey: NNEOYCMCJMLRSD-UHFFFAOYSA-N