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CAS No.: | 29124-57-0 |
---|---|
Name: | 2-Amino-5-bromobenzaldehyde |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C7H6BrNO |
Molecular Weight: | 200.035 |
Synonyms: | 2-Amino-5-bromobenzaldehyde;Anthranilaldehyde,5-bromo- (8CI); |
Density: | 1.673g/cm3 |
Melting Point: | 75-77°C |
Boiling Point: | 290.267 °C at 760 mmHg |
Flash Point: | 129.349 °C |
PSA: | 43.09000 |
LogP: | 2.42500 |
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The Benzaldehyde,2-amino-5-bromo-, with CAS registry number 29124-57-0, has the systematic name of 2-amino-5-bromobenzaldehyde. Besides this, it is also called 2-Amino-5-bromobenzenecarbaldehyde. And the chemical formula of this chemical is C7H6BrNO.
Physical properties of Benzaldehyde,2-amino-5-bromo-: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 76; (6)ACD/BCF (pH 7.4): 76; (7)ACD/KOC (pH 5.5): 770; (8)ACD/KOC (pH 7.4): 770; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.09 Å2; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 44.932 cm3; (15)Molar Volume: 119.564 cm3; (16)Polarizability: 17.812×10-24cm3; (17)Surface Tension: 57.093 dyne/cm; (18)Density: 1.673 g/cm3; (19)Flash Point: 129.349 °C; (20)Enthalpy of Vaporization: 52.963 kJ/mol; (21)Boiling Point: 290.267 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1Br)C=O)N
(2)InChI: InChI=1/C7H6BrNO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2
(3)InChIKey: VBYZWJMZASVGNB-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H6BrNO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2
(5)Std. InChIKey: VBYZWJMZASVGNB-UHFFFAOYSA-N