Benzoicacid, 4-bromo-2-(hydroxymethyl)- supplier

Name
BENZOIC ACID, 4-BROMO-2-(HYDROXYMETHYL)-
EINECS
CAS No. 670256-21-0
Article Data10
CAS DataBase
Density 1.751 g/cm³
Solubility
Melting Point
Formula C₈H₇BrO₃
Boiling Point 383.053 °C at 760 mmHg
Molecular Weight 231.046
Flash Point 185.464 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Toluicacid, 4-bromo-a-hydroxy- (5CI);4-Bromo-2-(hydroxymethyl)benzoic acid;
PSA 57.53000
LogP 1.63960

Benzoicacid, 4-bromo-2-(hydroxymethyl)- Specification

The Benzoicacid, 4-bromo-2-(hydroxymethyl)-, with the CAS registry number 670256-21-0, is also known as o-Toluicacid, 4-bromo-a-hydroxy- (5CI). This chemical's molecular formula is C₈H₇BrO₃ and molecular weight is 231.04. What's more, its systematic name is 4-Bromo-2-(hydroxymethyl)benzoic acid.

Physical properties of Benzoicacid, 4-bromo-2-(hydroxymethyl)- are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.53 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 47.324 cm³; (15)Molar Volume: 131.964 cm³; (16)Polarizability: 18.761×10^-24cm³; (17)Surface Tension: 64.129 dyne/cm; (18)Density: 1.751 g/cm³; (19)Flash Point: 185.464 °C; (20)Enthalpy of Vaporization: 66.616 kJ/mol; (21)Boiling Point: 383.053 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(Br)cc1CO
(2)InChI: InChI=1/C8H7BrO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3,10H,4H2,(H,11,12)
(3)InChIKey: YNXAGQITFDILGX-UHFFFAOYSA-N

Product Name

BENZOIC ACID, 4-BROMO-2-(HYDROXYMETHYL)-

Benzoicacid, 4-bromo-2-(hydroxymethyl)- Specification

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