2-(2-Bromophenyl)-2-propanol supplier

Name
2-(2-Bromophenyl)-2-propanol
EINECS
CAS No. 7073-69-0
Article Data38
CAS DataBase
Density 1.403 g/cm³
Solubility
Melting Point
Formula C₉H₁₁BrO
Boiling Point 268.3 °C at 760 mmHg
Molecular Weight 215.09
Flash Point 116.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzylalcohol, o-bromo-a,a-dimethyl- (6CI);2-(2-Bromophenyl)-2-propanol;2-(o-Bromophenyl)-2-propanol;NSC 312818;
PSA 20.23000
LogP 2.67650

2-(2-Bromophenyl)-2-propanol Specification

The 2-(2-Bromophenyl)-2-propanol is an organic compound with the formula C₉H₁₁BrO. The IUPAC name of this chemical is 2-(2-bromophenyl)propan-2-ol. With the CAS registry number 7073-69-0, it is also named as Benzenemethanol, 2-bromo-α,α-dimethyl-. In addition, the molecular weight is 215.09.

The other characteristics of 2-(2-Bromophenyl)-2-propanol can be summarized as: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å²; (7)Index of Refraction: 1.555; (8)Molar Refractivity: 49.23 cm³; (9)Molar Volume: 153.3 cm³; (10)Polarizability: 19.51×10^-24 cm³; (11)Surface Tension: 38.8 dyne/cm; (12)Enthalpy of Vaporization: 53.49 kJ/mol; (13)Vapour Pressure: 0.00384 mmHg at 25°C; (14)Rotatable Bond Count: 1; (15)Exact Mass: 213.999328; (16)MonoIsotopic Mass: 213.999328; (17)Topological Polar Surface Area: 20.2; (18)Heavy Atom Count: 11; (19)Complexity: 134.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccccc1C(O)(C)C
2. InChI:InChI=1/C9H11BrO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6,11H,1-2H3
3. InChIKey:TXQKNSQVEWHJAQ-UHFFFAOYAF
4. Std. InChI:InChI=1S/C9H11BrO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6,11H,1-2H3
5. Std. InChIKey:TXQKNSQVEWHJAQ-UHFFFAOYSA-N

Product Name

2-(2-Bromophenyl)-2-propanol

2-(2-Bromophenyl)-2-propanol Specification

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