CAS No.37742-98-6,4-Bromo-2,2-diphenylbutyric acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	37742-98-6
Name:	4-Bromo-2,2-diphenylbutyric acid
Article Data:	4

Formula:	C₁₆H₁₅BrO₂
Molecular Weight:	319.198
Synonyms:	4-Bromo-2,2-diphenylbutanoicacid;2,2-diphenyl-4-bromobutyric acid;
EINECS:	253-648-3
Density:	1.406 g/cm³
Melting Point:	131 °C (dec.)(lit.)
Boiling Point:	365.8 °C at 760 mmHg
Flash Point:	175 °C
Appearance:	Beige solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	37.30000
LogP:	3.84230

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Specification

The Benzeneacetic acid, α-(2-bromoethyl)-α-phenyl-, with the CAS registry number 37742-98-6, is also known as 4-Bromo-2,2-diphenylbutanoicacid. It belongs to the product categories of Aromatics Compounds; Aromatics; Carbonyl Compounds; Carboxylic Acids. Its EINECS number is 253-648-3. This chemical's molecular formula is C₁₆H₁₅BrO₂ and formula weight is 319.20. What's more, its IUPAC name is 4-bromo-2,2-diphenylbutanoic acid.

Physical properties of Benzeneacetic acid, α-(2-bromoethyl)-α-phenyl- are: (1)ACD/LogP: 4.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 18.64; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 76.85; (8)ACD/KOC (pH 7.4): 2.29; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 78.33 cm³; (15)Molar Volume: 227 cm³; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.406 g/cm³; (18)Flash Point: 175 °C; (19)Enthalpy of Vaporization: 64.58 kJ/mol; (20)Boiling Point: 365.8 °C at 760 mmHg; (21)Vapour Pressure: 5.41E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(CCBr)(C2=CC=CC=C2)C(=O)O
(2)InChI: InChI=1S/C16H15BrO2/c17-12-11-16(15(18)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19)
(3)InChIKey: GFIYIIRFIODLLU-UHFFFAOYSA-N