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CAS No.: | 108282-38-8 |
---|---|
Name: | 2-Ethoxy-4-amino-5-chlorobenzoic acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H10ClNO3 |
Molecular Weight: | 215.636 |
Synonyms: | 2-Ethoxy-4-amino-5-chlorobenzoicacid;4-Amino-5-chloro-2-ethoxybenzoic acid; |
EINECS: | 600-861-8 |
Density: | 1.376 g/cm3 |
Melting Point: | 165-169 °C |
Boiling Point: | 377.708 °C at 760 mmHg |
Flash Point: | 182.232 °C |
Appearance: | white crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38 |
PSA: | 72.55000 |
LogP: | 2.60030 |
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The CAS register number of Benzoic acid,4-amino-5-chloro-2-ethoxy- is 108282-38-8. It also can be called as 2-Ethoxy-4-amino-5-chlorobenzoic acid and the systematic name about this chemical is 4-amino-5-chloro-2-ethoxybenzoic acid. The molecular formula about this chemical is C9H10ClNO3 and the molecular weight is 215.64. It belongs to the following product categories, such as Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic Acids; (Intermediate of Mosapride Citrate ); Aromatics Compounds and so on.
Physical properties about Benzoic acid,4-amino-5-chloro-2-ethoxy- are: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 4; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 46; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 72.55Å2; (11)Index of Refraction: 1.6; (12)Molar Refractivity: 53.625 cm3; (13)Molar Volume: 156.703 cm3; (14)Polarizability: 21.259x10-24cm3; (15)Surface Tension: 55.421 dyne/cm; (16)Enthalpy of Vaporization: 65.984 kJ/mol; (17)Boiling Point: 377.708 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(OCC)cc1N)C(=O)O
(2)InChI: InChI=1/C9H10ClNO3/c1-2-14-8-4-7(11)6(10)3-5(8)9(12)13/h3-4H,2,11H2,1H3,(H,12,13)
(3)InChIKey: XWGYOMHQGQZRLC-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H10ClNO3/c1-2-14-8-4-7(11)6(10)3-5(8)9(12)13/h3-4H,2,11H2,1H3,(H,12,13)
(5)Std. InChIKey: XWGYOMHQGQZRLC-UHFFFAOYSA-N