Benzoicacid, 4-amino-3,5-dichloro-, methyl ester supplier

Name
METHYL 4-AMINO-3,5-DICHLOROBENZOATE
EINECS
CAS No. 41727-48-4
Article Data5
CAS DataBase
Density 1.433 g/cm³
Solubility
Melting Point 79-81 °C
Formula C₈H₇Cl₂NO₂
Boiling Point 342 °C at 760 mmHg
Molecular Weight 220.055
Flash Point 160.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,6-Dichloro-4-methoxycarbonylaniline;Methyl 3,5-dichloro-4-aminobenzoate;Methyl 4-amino-3,5-dichlorobenzoate;
PSA 52.32000
LogP 2.94340

Benzoicacid, 4-amino-3,5-dichloro-, methyl ester Specification

The Benzoicacid, 4-amino-3,5-dichloro-, methyl ester is an organic compound with the formula C₈H₇Cl₂NO₂. With the CAS registry number 41727-48-4, the IUPAC name of this chemical is methyl 4-amino-3,5-dichlorobenzoate.

Physical properties about Benzoicacid, 4-amino-3,5-dichloro-, methyl ester are: (1)ACD/LogP: 3.49; (2)ACD/LogD (pH 5.5): 3.49; (3)ACD/LogD (pH 7.4): 3.49; (4)ACD/BCF (pH 5.5): 265.8; (5)ACD/BCF (pH 7.4): 265.8; (6)ACD/KOC (pH 5.5): 1892.79; (7)ACD/KOC (pH 7.4): 1892.79; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 52.05 cm³; (14)Molar Volume: 153.5 cm³; (15)Polarizability: 20.63×10^-24cm³; (16)Surface Tension: 50.7 dyne/cm; (17)Density: 1.433 g/cm³; (18)Flash Point: 160.6 °C; (19)Enthalpy of Vaporization: 58.57 kJ/mol; (20)Boiling Point: 342 °C at 760 mmHg; (21)Vapour Pressure: 7.77E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1N)C(=O)OC
(2)InChI: InChI=1/C8H7Cl2NO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3
(3)InChIKey: LBEKFAUAYVGHFP-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H7Cl2NO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3
(5)Std. InChIKey: LBEKFAUAYVGHFP-UHFFFAOYSA-N

Product Name

METHYL 4-AMINO-3,5-DICHLOROBENZOATE

Benzoicacid, 4-amino-3,5-dichloro-, methyl ester Specification

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