CAS No.30951-66-7,2-(3-Bromophenyl)propan-2-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	30951-66-7
Name:	2-(3-Bromophenyl)propan-2-ol
Article Data:	24

Formula:	C₉H₁₁BrO
Molecular Weight:	215.09
Synonyms:	2-(3-bromophenyl)-2-propanol;2-(3-bromo-phenyl)-propan-2-ol;dimethyl(m-bromophenyl)carbinol;2-(3-Bromophenyl)Propan-2-Ol;2-(3-Brom-phenyl)-propan-2-ol;2-(2,4-DIFLUOROPHENYL)-2-PROPEN-1-OL;m-bromocumyl alcohol;
Density:	1.403 g/cm³
Boiling Point:	258 °C at 760 mmHg
Flash Point:	109.8 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	20.23000
LogP:	2.67650

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Specification

This chemical is called 2-(3-Bromophenyl)propan-2-ol, and it's also named as Benzenemethanol, 3-bromo-α,α-dimethyl-. With the molecular formula of C₉H₁₁BrO, its molecular weight is 215.089. The CAS registry number of this chemical is 30951-66-7.

Other characteristics of the 2-(3-Bromophenyl)propan-2-ol can be summarised as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 47.04; (6)ACD/BCF (pH 7.4): 47.04; (7)ACD/KOC (pH 5.5): 547.95; (8)ACD/KOC (pH 7.4): 547.95; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 49.23 cm³; (15)Molar Volume: 153.3 cm³; (16)Polarizability: 19.51×10^-24cm³; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.403 g/cm³; (19)Flash Point: 109.8 °C; (20)Enthalpy of Vaporization: 52.36 kJ/mol; (21)Boiling Point: 258 °C at 760 mmHg; (22)Vapour Pressure: 0.00721 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OC(C)(C)c1cc(Br)ccc1
2.InChI: InChI=1/C9H11BrO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,1-2H3
3.InChIKey: ZRFMJMFYMQAUDO-UHFFFAOYAD