Benzoic-2,3,5,6-d4acid, 4-fluoro- supplier

Name
4-FLUOROBENZOIC-D4 ACID
EINECS
CAS No. 93111-25-2
Article Data1
CAS DataBase
Density 1.358 g/cm³
Solubility
Melting Point
Formula C₇HD₄FO₂
Boiling Point 253.687 °C at 760 mmHg
Molecular Weight 144.14
Flash Point 107.226 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Fluoro(2H₄)benzoic acid;benzoic-2,3,5,6-d4 acid, 4-fluoro-;4-Fluorobenzoic-d4 Acid;
PSA 37.30000
LogP 1.52390

Benzoic-2,3,5,6-d4acid, 4-fluoro- Specification

The Benzoic-2,3,5,6-d4acid, 4-fluoro-, with the CAS registry number 93111-25-2, has the systematic name of 4-Fluoro(2H₄)benzoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇HD₄FO₂.

The characteristics of Methanesulfonic acid,1-[(2-methoxyphenyl)amino]- are as followings: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.596; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 33.177 cm³; (15)Molar Volume: 106.173 cm³; (16)Polarizability: 13.152×10^-24cm³; (17)Surface Tension: 46.015 dyne/cm; (18)Density: 1.358 g/cm³; (19)Flash Point: 107.226 °C; (20)Enthalpy of Vaporization: 51.888 kJ/mol; (21)Boiling Point: 253.687 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])F)[2H]
(2)InChI: InChI=1/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/i1D,2D,3D,4D
(3)InChIKey: BBYDXOIZLAWGSL-RHQRLBAQEN

Product Name

4-FLUOROBENZOIC-D4 ACID

Benzoic-2,3,5,6-d4acid, 4-fluoro- Specification

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