Methyl 3-amino-4-chlorobenzoate supplier

Name
Methyl 3-amino-4-chlorobenzoate
EINECS
CAS No. 40872-87-5
Article Data15
CAS DataBase
Density 1.311 g/cm³
Solubility
Melting Point 83 °C
Formula C₈H₈ClNO₂
Boiling Point 292.1 °C at 760 mmHg
Molecular Weight 185.61
Flash Point 130.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Chloro-5-methoxycarbonylaniline;3-Amino-4-chlorobenzoic acid methyl ester;Methyl 3-amino-4-chlorobenzoate;
PSA 52.32000
LogP 2.29000

Methyl 3-amino-4-chlorobenzoate Specification

This chemical is called Benzoic acid, 3-amino-4-chloro-, methyl ester, and its systematic name is methyl 3-amino-4-chlorobenzoate. With the molecular formula of C₈H₈ClNO₂, its molecular weight is 185.61. The CAS registry number of this chemical is 40872-87-5. Additionally, its product categories are Product Categories: Fnie Chemical & Intermediates; Aromatic Esters.

Other characteristics of the Benzoic acid, 3-amino-4-chloro-, methyl ester can be summarised as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.06; (6)ACD/BCF (pH 7.4): 18.07; (7)ACD/KOC (pH 5.5): 276.2; (8)ACD/KOC (pH 7.4): 276.23; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 47.15 cm³; (15)Molar Volume: 141.5 cm³; (16)Polarizability: 18.69×10^-24cm³; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.311 g/cm³; (19)Flash Point: 130.4 °C; (20)Enthalpy of Vaporization: 53.15 kJ/mol; (21)Boiling Point: 292.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00188 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(C(=O)OC)cc1N
2.InChI: InChI=1/C8H8ClNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3
3.InChIKey: LOCJPOYKBUUVKU-UHFFFAOYAK

Product Name

Methyl 3-amino-4-chlorobenzoate

Methyl 3-amino-4-chlorobenzoate Specification

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