1,3-Benzenediol,2-bromo- supplier

Name
2-BROMORESORCINOL
EINECS
CAS No. 6751-75-3
Article Data16
CAS DataBase
Density 1.844 g/cm³
Solubility
Melting Point 96-103℃
Formula C₆H₅BrO₂
Boiling Point 235.3 °C at 760 mmHg
Molecular Weight 189.008
Flash Point 96.1 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Resorcinol,2-bromo- (6CI,7CI,8CI);2,6-Dihydroxybromobenzene;2-Bromo-1,3-benzenediol;2-Bromoresorcinol;2-Bromo-1,3-dihydroxybenzene;
PSA 40.46000
LogP 1.86030

1,3-Benzenediol,2-bromo- Specification

The 1,3-Benzenediol,2-bromo-, with the CAS registry number 6751-75-3, is also known as 2-Bromo-1,3-dihydroxybenzene. This chemical's molecular formula is C₆H₅BrO₂ and formula weight is 189.01. What's more, its IUPAC name is 2-bromobenzene-1,3-diol.

Physical properties of 1,3-Benzenediol,2-bromo- are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 18.31; (6)ACD/BCF (pH 7.4): 14.04; (7)ACD/KOC (pH 5.5): 278.56; (8)ACD/KOC (pH 7.4): 213.66; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 37.7 cm³; (15)Molar Volume: 102.4 cm³; (16)Surface Tension: 62.2 dyne/cm; (17)Density: 1.844 g/cm³; (18)Flash Point: 96.1 °C; (19)Enthalpy of Vaporization: 49.12 kJ/mol; (20)Boiling Point: 235.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0329 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(O)cccc1O
(2)InChI: InChI=1S/C6H5BrO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H
(3)InChIKey: UOLPZAPIFFZLMF-UHFFFAOYSA-N

Product Name

2-BROMORESORCINOL

1,3-Benzenediol,2-bromo- Specification

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