Methyl-5-amino-2-chlorobenzoate supplier

Name
Methyl-5-amino-2-chlorobenzoate
EINECS
CAS No. 42122-75-8
Article Data23
CAS DataBase
Density 1.311 g/cm³
Solubility
Melting Point 68-70oC
Formula C₈H₈ClNO₂
Boiling Point 319.7 °C at 760 mmHg
Molecular Weight 185.61
Flash Point 147.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Amino-2-chlorobenzoicacid methyl ester;Methyl 2-chloro-5-aminobenzoate;Methyl 3-amino-6-chlorobenzoate;Methyl 5-amino-2-chlorobenzoate;
PSA 52.32000
LogP 2.29000

Methyl-5-amino-2-chlorobenzoate Specification

The Benzoic acid, 5-amino-2-chloro-, methyl ester, with the CAS registry number of 42122-75-8, is also known as Methyl 2-chloro-5-aminobenzoate. This chemical's molecular formula is C₈H₈ClNO₂ and molecular weight is 185.60762. What's more, its IUPAC name is Methyl 5-amino-2-chlorobenzoate.

Physical properties about Benzoic acid, 5-amino-2-chloro-, methyl ester are: (1)ACD/LogP: 1.52; (2)of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 8.44; (6)ACD/BCF (pH 7.4): 8.45; (7)ACD/KOC (pH 5.5): 160.08; (8)ACD/KOC (pH 7.4): 160.4; (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)Surface Tension: 48.6 dyne/cm; (17)Density: 1.311 g/cm³; (18)Flash Point: 147.2 °C; (19)Enthalpy of Vaporization: 56.13 kJ/mol; (20)Boiling Point: 319.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000333 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1cc(ccc1Cl)N
(2) InChI: InChI=1/C8H8ClNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3
(3) InChIKey: LBNPBOFVHYOPIB-UHFFFAOYAH

Product Name

Methyl-5-amino-2-chlorobenzoate

Methyl-5-amino-2-chlorobenzoate Specification

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