(1S-cis)-3-Bromo-3,5-cyclohexadiene-1,2-diol supplier

Name
(1S-cis)-3-Bromo-3,5-cyclohexadiene-1,2-diol
EINECS
CAS No. 130792-45-9
Article Data30
CAS DataBase
Density 1.922 g/cm³
Solubility
Melting Point 90-94 °C
Formula C₆H₇BrO₂
Boiling Point 302.342 °C at 760 mmHg
Molecular Weight 191.024
Flash Point 136.652 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (+)-cis-2(S),3(S)-2,3-Dihydroxy-2,3-dihydrobromobenzene;(1S,2S)-3-Bromocyclohexa-3,5-diene-1,2-diol;
PSA 40.46000
LogP 0.55680

(1S-cis)-3-Bromo-3,5-cyclohexadiene-1,2-diol Specification

The (1S-cis)-3-Bromo-3,5-cyclohexadiene-1,2-diol, with the CAS registry number of 130792-45-9, is also known as (+)-cis-2(S),3(S)-2,3-Dihydroxy-2,3-dihydrobromobenzene. This chemical's molecular formula is C₆H₇BrO₂ and molecular weight is 191.02. What's more, its IUPAC name is (1S,2S)-3-Bromocyclohexa-3,5-diene-1,2-diol.

Physical properties about (1S-cis)-3-Bromo-3,5-cyclohexadiene-1,2-diol are: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 40.46 Å²; (7)Index of Refraction: 1.687; (8)Molar Refractivity: 37.841 cm³; (9)Molar Volume: 99.368 cm³; (10)Polarizability: 15.001×10^-24 cm³; (11)Surface Tension: 77.64 dyne/cm; (12)Density: 1.922 g/cm³; (13)Flash Point: 136.652 °C; (14)Enthalpy of Vaporization: 62.929 kJ/mol; (15)Boiling Point: 302.342 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Br\C1=C\C=C/[C@H](O)[C@@H]1O
(2) InChI: InChI=1/C6H7BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6+/m0/s1
(3) InChIKey: KLPGXZKAVBGFGF-NTSWFWBYBM

Product Name

(1S-cis)-3-Bromo-3,5-cyclohexadiene-1,2-diol

(1S-cis)-3-Bromo-3,5-cyclohexadiene-1,2-diol Specification

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