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CAS No.: | 60728-41-8 |
---|---|
Name: | 1-Methyl 2-aminoterephthalate |
Molecular Structure: | |
Formula: | C9H9 N O4 |
Molecular Weight: | 195.175 |
Synonyms: | 1-Methyl2-aminoterephthalate; 2-Aminoterephthalic acid 1-methyl ester;3-Amino-4-(methoxycarbonyl)benzoic acid |
Density: | 1.373±0.06 g/cm3(Predicted) |
Melting Point: | 217-220 ºC |
Boiling Point: | 394.9°C at 760 mmHg |
Flash Point: | 192.7°C |
Hazard Symbols: | |
Risk Codes: | R36/37/38 |
PSA: | 89.62000 |
LogP: | 1.33480 |
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Molecular Structure of 1-Methyl 2-aminoterephthalate (CAS No.60728-41-8):
Molecular Formula: C9H9NO4
Molecular Weight: 195.1721
CAS No: 60728-41-8
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 55.84 Å2
Index of Refraction: 1.608
Molar Refractivity: 49.19 cm3
Molar Volume: 142.1 cm3
Surface Tension: 62.7 dyne/cm
Density: 1.373 g/cm3
Flash Point: 192.7 °C
Enthalpy of Vaporization: 68.03 kJ/mol
Boiling Point: 394.9 °C at 760 mmHg
Vapour Pressure: 6.03E-07 mmHg at 25°C
InChI: InChI=1/C9H9NO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,10H2,1H3,(H,11,12)
InChIKey: QKOKLMFCKLEFDV-UHFFFAOYAX
Std. InChI: InChI=1S/C9H9NO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,10H2,1H3,(H,11,12)
Std. InChIKey: QKOKLMFCKLEFDV-UHFFFAOYSA-N
Systematic Name: 3-Amino-4-(methoxycarbonyl)benzoic acid
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides Salts;Phthalic Acids, Esters and Derivatives;C8 to C9;Carbonyl Compounds;Esters
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
1-Methyl 2-aminoterephthalate (CAS No.60728-41-8), its synonyms are 1,4-Benzenedicarboxylic acid, 2-amino-, 1-methyl ester ; 3-Amino-4-(methoxycarbonyl)benzoic acid .