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| CAS No.: | 1709-44-0 |
|---|---|
| Name: | 3-AMINOBENZALDEHYDE POLYMER |
| Molecular Structure: | |
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| Formula: | C7H7NO |
| Molecular Weight: | 121.139 |
| Synonyms: | Benzaldehyde,m-amino- (6CI,8CI);3-Aminobenzaldehyde;3-Formylaniline;NSC 36957;m-Aminobenzaldehyde; |
| EINECS: | 216-968-4 |
| Density: | 1.172 g/cm3 |
| Melting Point: | 28-30 °C |
| Boiling Point: | 270.311 °C at 760 mmHg |
| Flash Point: | 117.28 °C |
| PSA: | 43.09000 |
| LogP: | 1.66250 |
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Specification
The IUPAC name of Benzaldehyde, 3-amino- is 3-aminobenzaldehyde. With the CAS registry number 1709-44-0, it is also named as 3-Formylaniline. The product's category is Pharmacetical. Besides, it is light brown crystalline powder, which should be stored in cool, dry, sealed and dark place. In addition, its molecular formula is C7H7NO and molecular weight is 121.138.
The other characteristics of Benzaldehyde, 3-amino- can be summarized as: (1)EINECS: 216-968-4; (2)ACD/LogP: 0.67; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.66; (5)ACD/LogD (pH 7.4): 0.67; (6)ACD/BCF (pH 5.5): 1.88; (7)ACD/BCF (pH 7.4): 1.89; (8)ACD/KOC (pH 5.5): 54.57; (9)ACD/KOC (pH 7.4): 54.99; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 37.24 cm3; (15)Molar Volume: 103.3 cm3; (16)Surface Tension: 52.4 dyne/cm; (17)Density: 1.171 g/cm3; (18)Flash Point: 117.3 °C; (19)Melting Point: 28-30 °C; (20)Enthalpy of Vaporization: 50.85 kJ/mol; (21)Boiling Point: 270.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00689 mmHg at 25 °C.
Production and Uses of this chemical: it can be produced by the deoxidation of m-Nitrobenzaldehyde. Moreover, it can be used as an intermediate in organic synthesis. And it also can be used for biochemical study.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=Cc1cc(N)ccc1
(2)InChI: InChI=1/C7H7NO/c8-7-3-1-2-6(4-7)5-9/h1-5H,8H2
(3)InChIKey: SIXYIEWSUKAOEN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H7NO/c8-7-3-1-2-6(4-7)5-9/h1-5H,8H2
(5)Std. InChIKey: SIXYIEWSUKAOEN-UHFFFAOYSA-N