2-Bromomethylchroman supplier | CasNO.852181-00-1

Name
2-BROMOMETHYL-3,4-DIHYDRO-2H-CHROMEN
EINECS
CAS No. 852181-00-1
Density 1.405 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁BrO
Boiling Point 300.6 °C at 760 mmHg
Molecular Weight 227.101
Flash Point 118.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(bromomethyl)chroman;2-(bromomethyl)-3,4-dihydro-2H-chromene;2H-1-Benzopyran, 2-(bromomethyl)-3,4-dihydro-;2-Bromomethylchroman;2-bromomethyl-chroman;
PSA 9.23000
LogP 2.77510

2-Bromomethylchroman Specification

The 2-Bromomethylchroman, with the cas registry number 852181-00-1, has the IUPAC name of 2-(bromomethyl)-3,4-dihydro-2H-chromene. It belongs to the categories of Building Blocks and Chromone. And the molecular formula of the chemical is C₁₀H₁₁BrO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.562; (9)Molar Refractivity: 52.45 cm³; (10)Molar Volume: 161.5 cm³; (11)Polarizability: 20.79×10^-24cm³; (12)Surface Tension: 43.3 dyne/cm; (13)Density: 1.405 g/cm³; (14)Flash Point: 118.7 °C; (15)Enthalpy of Vaporization: 51.9 kJ/mol; (16)Boiling Point: 300.6 °C at 760 mmHg; (17)Vapour Pressure: 0.00198 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCC1CCc2ccccc2O1
(2)InChI: InChI=1/C10H11BrO/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9H,5-7H2
(3)InChIKey: FQPRCEFOQRTXQL-UHFFFAOYAT

Product Name

2-BROMOMETHYL-3,4-DIHYDRO-2H-CHROMEN

2-Bromomethylchroman Specification

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