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CAS No.: | 5900-59-4 |
---|---|
Name: | 2-amino-4-chlorobenzamide |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C7H7ClN2O |
Molecular Weight: | 170.598 |
Synonyms: | 2-Amino-4-chlorobenzamide;4-Chloroanthranilamide; |
EINECS: | 200-002-4 |
Density: | 1.394 g/cm3 |
Melting Point: | 181.5 °C |
Boiling Point: | 308.755 °C at 760 mmHg |
Flash Point: | 140.531 °C |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 69.11000 |
LogP: | 2.30260 |
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The Benzamide, 2-amino-4-chloro-, with the CAS registry number of 5900-59-4, is also known as 4-Chloroanthranilamide. This chemical's molecular formula is C7H7ClN2O and molecular weight is 170.59628. What's more, its IUPAC name is 2-Amino-4-chlorobenzamide.
Physical properties about Benzamide, 2-amino-4-chloro- are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 157; (8)ACD/KOC (pH 7.4): 157; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 69.11 Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 44.314 cm3; (15)Molar Volume: 122.365 cm3; (16)Surface Tension: 62.031 dyne/cm; (17)Density: 1.394 g/cm3; (18)Flash Point: 140.531 °C; (19)Enthalpy of Vaporization: 54.946 kJ/mol; (20)Boiling Point: 308.755 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)c1ccc(Cl)cc1N
(2) InChI: InChI=1/C7H7ClN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11)
(3) InChIKey: QNEJYHVIYJFNHC-UHFFFAOYAT