Benzoic acid,3-amino-2-hydroxy-, methyl ester supplier

Name
3-Amino-2-hydroxybenzoic acid methyl ester
EINECS
CAS No. 35748-34-6
Article Data26
CAS DataBase
Density 1.306 g/cm³
Solubility
Melting Point 120℃ (dichloromethane )
Formula C₈H₉NO₃
Boiling Point 274.919 °C at 760 mmHg
Molecular Weight 167.164
Flash Point 120.067 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Amino-2-hydroxybenzoicacid methyl ester;3-Aminosalicylic acid methyl ester;Methyl2-hydroxy-3-aminobenzoate;Methyl 3-amino-2-hydroxybenzoate;Methyl3-aminosalicylate;
PSA 72.55000
LogP 1.34220

Benzoic acid,3-amino-2-hydroxy-, methyl ester Specification

The Benzoic acid,3-amino-2-hydroxy-, methyl ester, with the CAS registry number 35748-34-6, has the systematic name of methyl 3-amino-2-hydroxybenzoate. It is a kind of irritant chemical, and the molecular formula of the chemical is C₈H₉NO₃.

The characteristics of Benzoic acid,3-amino-2-hydroxy-, methyl ester are as followings: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 119; (8)ACD/KOC (pH 7.4): 119; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.55 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 44.144 cm³; (15)Molar Volume: 128.036 cm³; (16)Polarizability: 17.5×10^-24cm³; (17)Surface Tension: 57.759 dyne/cm; (18)Density: 1.306 g/cm³; (19)Flash Point: 120.067 °C; (20)Enthalpy of Vaporization: 53.399 kJ/mol; (21)Boiling Point: 274.919 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Nc1cccc(C(=O)OC)c1O
(2)InChI: InChI=1/C8H9NO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,9H2,1H3
(3)InChIKey: OMWQHVRUXLRZRC-UHFFFAOYAX

Product Name

3-Amino-2-hydroxybenzoic acid methyl ester

Benzoic acid,3-amino-2-hydroxy-, methyl ester Specification

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