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2052-07-5

Basic Information
CAS No.: 2052-07-5
Name: 1,1'-Biphenyl, 2-bromo-
Molecular Structure:
Molecular Structure of 2052-07-5 (1,1'-Biphenyl, 2-bromo-)
Formula: C12H9Br
Molecular Weight: 233.11
Synonyms: Biphenyl,2-bromo- (6CI,7CI,8CI);1-Bromo-2-phenylbenzene;2-Biphenyl bromide;2-Biphenylyl bromide;2-Bromo-1,1'-biphenyl;2-Phenylbromobenzene;NSC 67353;PBB 1;m-Biphenyl bromide;o-Bromobiphenyl;
EINECS: 218-141-3
Density: 1.363 g/cm3
Melting Point: 1.5-2 °C
Boiling Point: 297 °C at 760 mmHg
Flash Point: 133.7 °C
Solubility: insoluble in water
Appearance: colourless liquid
Hazard Symbols: IrritantXi, HarmfulXn
Risk Codes: 36/37/38-20/21/22
Safety: 23-24/25-37/39-26-36
Transport Information:
PSA: 0.00000
LogP: 4.11610
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Specification

The IUPAC name of 2-Bromobiphenyl is 1-bromo-2-phenylbenzene. With the CAS registry number 2052-07-5, it is also named as 1,1'-Biphenyl, 2-bromo-. The product's categories are Aromatic Compounds; Biphenyl & Diphenyl Ether; Aryl; C9 to C12; Halogenated Hydrocarbons. It is colourless liquid which is stable, but light sensitive. And it is also incompatible with strong oxidizing agents. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.54; (4)ACD/LogD (pH 7.4): 4.54; (5)ACD/BCF (pH 5.5): 1675.5; (6)ACD/BCF (pH 7.4): 1675.5; (7)ACD/KOC (pH 5.5): 7070.34; (8)ACD/KOC (pH 7.4): 7070.34; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.6; (13)Molar Refractivity: 58.53 cm3; (14)Molar Volume: 170.9 cm3; (15)Polarizability: 23.2×10-24 cm3; (16)Surface Tension: 40.4 dyne/cm; (17)Enthalpy of Vaporization: 51.53 kJ/mol; (18)Vapour Pressure: 0.00245 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 231.988763; (21)MonoIsotopic Mass: 231.988763; (22)Heavy Atom Count: 13; (23)Complexity: 149.

Preparation of 2-Bromobiphenyl: It can be obtained by the diazotization of biphenyl-2-ylamine. This reaction needs reagents CuBr and aqueous HBr.

Uses of 2-Bromobiphenyl: It is used as intermediate of organic synthesis and pharmaceutical. It also can react with norborn-2-ene to get 5-phenyl-1,2,3,4,4a,8b-hexahydro-1,4-methanobiphenylene. This reaction needs reagent PhOK and catalytic agent Pd(PPh3)4 at temperature of 105 °C. The reaction time is 24 hours. The yield is 91%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. So people should not breathe vapour and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc2ccccc2c1ccccc1
2. InChI:InChI=1/C12H9Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H 
3. InChIKey:KTADSLDAUJLZGL-UHFFFAOYAT

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