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2,2'-Dibromobiphenyl

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Name

2,2'-Dibromobiphenyl

EINECS 625-732-3
CAS No. 13029-09-9 Density 1.668 g/cm3
PSA 0.00000 LogP 4.87860
Solubility Insoluble in water. Melting Point 79-83 °C
Formula C12H8Br2 Boiling Point 332.884 °C at 760 mmHg
Molecular Weight 312.004 Flash Point 180.005 °C
Transport Information UN 3152 Appearance white crystalline powder
Safety 26-61-60-36/37/39 Risk Codes 36/37/38-50/53-22
Molecular Structure Molecular Structure of 13029-09-9 (2,2'-Dibromobiphenyl) Hazard Symbols HarmfulXn, IrritantXi, DangerousN
Synonyms

Biphenyl,2,2'-dibromo- (6CI,7CI,8CI);2,2'-Dibromo-1,1'-biphenyl;2,2'-Dibromodiphenyl;NSC 91566;PBB 4;o,o'-Dibromobiphenyl;

Article Data 7

2,2'-Dibromobiphenyl 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

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