CAS No.13029-09-9,2,2'-Dibromobiphenyl Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13029-09-9
Name:	2,2'-Dibromobiphenyl
Article Data:	7

Formula:	C₁₂H₈Br₂
Molecular Weight:	312.004
Synonyms:	Biphenyl,2,2'-dibromo- (6CI,7CI,8CI);2,2'-Dibromo-1,1'-biphenyl;2,2'-Dibromodiphenyl;NSC 91566;PBB 4;o,o'-Dibromobiphenyl;
EINECS:	625-732-3
Density:	1.668 g/cm³
Melting Point:	79-83 °C
Boiling Point:	332.884 °C at 760 mmHg
Flash Point:	180.005 °C
Solubility:	Insoluble in water.
Appearance:	white crystalline powder
Hazard Symbols:	Xn, Xi, N
Risk Codes:	36/37/38-50/53-22
Safety:	26-61-60-36/37/39
Transport Information:	UN 3152
PSA:	0.00000
LogP:	4.87860

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Specification

The 1,1'-Biphenyl,2,2'-dibromo-, with the CAS registry number 13029-09-9, is also known as o,o'-Dibromobiphenyl. It belongs to the product categories of C9 to C12 Chemical Synthesis; Aryl; Halogenated Hydrocarbons; New Products for Chemical Synthesis; Organic Building Blocks. This chemical's molecular formula is C₁₂H₈Br₂ and molecular weight is 312.00. What's more, its systematic name is 2,3-difluoro-4'-propylbiphenyl. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides and light.

Physical properties of 1,1'-Biphenyl,2,2'-dibromo- are: (1)ACD/LogP: 5.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.11; (4)ACD/LogD (pH 7.4): 5.11; (5)ACD/BCF (pH 5.5): 4537.01; (6)ACD/BCF (pH 7.4): 4537.01; (7)ACD/KOC (pH 5.5): 14424.78; (8)ACD/KOC (pH 7.4): 14424.78; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 66.22 cm³; (14)Molar Volume: 187 cm³; (15)Polarizability: 26.25×10^-24cm³; (16)Surface Tension: 43.9 dyne/cm; (17)Density: 1.667 g/cm³; (18)Flash Point: 180 °C; (19)Enthalpy of Vaporization: 55.29 kJ/mol; (20)Boiling Point: 332.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000274 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2-dibromo-benzene at the temperature of -78 - 5 °C. This reaction will need reagent n-BuLi and solvents tetrahydrofuran, hexane. The yield is about 80.9%.

1,1'-Biphenyl,2,2'-dibromo- can be prepared by 1,2-dibromo-benzene at the temperature of -78 - 5 °C

Uses of 1,1'-Biphenyl,2,2'-dibromo-: it can be used to produce 5,5-dimethyl-5H-dibenzosilole at the temperature of -78 - 20 °C. It will need reagent n-BuLi and solvents diethyl ether, hexane. The yield is about 94.1%.

1,1'-Biphenyl,2,2'-dibromo- can be used to produce 5,5-dimethyl-5H-dibenzosilole at the temperature of -78 - 20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed. It is very toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. This material and its container must be disposed of as hazardous waste. You must avoid releasing it to the environment just refering to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccccc2c1c(Br)cccc1
(2)Std. InChI: InChI=1S/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
(3)Std. InChIKey: DRKHIWKXLZCAKP-UHFFFAOYSA-N