Benzene-d5-methanol,benzoate (9CI) supplier

Name
BENZYL-D5 BENZOATE
EINECS
CAS No. 347840-01-1
Density 1.156 g/cm³
Solubility
Melting Point
Formula C₁₄H₇D₅O₂
Boiling Point 324.129 °C at 760 mmHg
Molecular Weight 217.27
Flash Point 147.877 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzyl-d5 benzoate;
PSA 26.30000
LogP 3.04360

Benzene-d5-methanol,benzoate (9CI) Specification

The Benzene-d5-methanol, benzoate (9CI), with the CAS registry number of 347840-01-1, is also known as Benzyl-d5 benzoate. This chemical's molecular formula is C₁₄H₇D₅O₂ and molecular weight is 217.27. What's more, its systematic name is called (²H₅)Phenylmethyl benzoate.

Physical properties about Benzene-d5-methanol, benzoate (9CI) are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.811; (4)ACD/LogD (pH 7.4): 3.811; (5)ACD/BCF (pH 5.5): 463.653; (6)ACD/BCF (pH 7.4): 463.653; (7)ACD/KOC (pH 5.5): 2818.801; (8)ACD/KOC (pH 7.4): 2818.801; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 62.513 cm³; (15)Molar Volume: 188.028 cm³; (16)Surface Tension: 44.001 dyne/cm; (17)Density: 1.156 g/cm³; (18)Flash Point: 147.877 °C; (19)Enthalpy of Vaporization: 56.613 kJ/mol; (20)Boiling Point: 324.129 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1c(c(c(c(c1[2H])[2H])COC(=O)c2ccccc2)[2H])[2H]
(2) InChI: InChI=1/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2/i1D,3D,4D,7D,8D
(3) InChIKey: SESFRYSPDFLNCH-DYVTXVBDEC

Product Name

BENZYL-D5 BENZOATE

Benzene-d5-methanol,benzoate (9CI) Specification

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