Benzoic acid, 4-amino-2-fluoro-, 1,1-dimethylethyl ester supplier

Name
TERT-BUTYL 4-AMINO-2-FLUOROBENZOATE
EINECS
CAS No. 140373-77-9
Article Data9
CAS DataBase
Density 1.152 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄FNO₂
Boiling Point 325.561 °C at 760 mmHg
Molecular Weight 211.236
Flash Point 150.694 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-2-fluorobenzoicacid tert-butyl ester;tert-Butyl 4-amino-2-fluorobenzoate;
PSA 52.32000
LogP 2.94440

Benzoic acid, 4-amino-2-fluoro-, 1,1-dimethylethyl ester Specification

This chemical is called Benzoic acid, 4-amino-2-fluoro-, 1,1-dimethylethyl ester, and its systematic name is tert-Butyl 4-amino-2-fluorobenzoate. With the molecular formula of C₁₁H₁₄FNO₂, its molecular weight is 211.23. The CAS registry number of this chemical is 140373-77-9.

Other characteristics of the Benzoic acid, 4-amino-2-fluoro-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 78; (6)ACD/BCF (pH 7.4): 78; (7)ACD/KOC (pH 5.5): 787; (8)ACD/KOC (pH 7.4): 787; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.32 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 56.12 cm³; (15)Molar Volume: 183.385 cm³; (16)Polarizability: 22.248×10^-24cm³; (17)Surface Tension: 39.428 dyne/cm; (18)Density: 1.152 g/cm³; (19)Flash Point: 150.694 °C; (20)Enthalpy of Vaporization: 56.769 kJ/mol; (21)Boiling Point: 325.561 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(C(=O)OC(C)(C)C)ccc(N)c1
2.InChI: InChI=1/C11H14FNO2/c1-11(2,3)15-10(14)8-5-4-7(13)6-9(8)12/h4-6H,13H2,1-3H3
3.InChIKey: FCCRKNYAZJHMME-UHFFFAOYAZ

Product Name

TERT-BUTYL 4-AMINO-2-FLUOROBENZOATE

Benzoic acid, 4-amino-2-fluoro-, 1,1-dimethylethyl ester Specification

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