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CAS No.: | 2460-58-4 |
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Name: | 2-HYDROXY-4-NITRO-BENZALDEHYDE |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C7H5NO4 |
Molecular Weight: | 167.121 |
Synonyms: | Salicylaldehyde,4-nitro- (6CI,7CI,8CI);2-Hydroxy-4-nitrobenzaldehyde;4-Nitrosalicylaldehyde;NSC 82622; |
EINECS: | 219-549-4 |
Density: | 1.5 g/cm3 |
Melting Point: | 128-130 °C |
Boiling Point: | 309.2 °C at 760 mmHg |
Flash Point: | 141.8 °C |
Appearance: | yellow crystalline solid |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 83.12000 |
LogP: | 1.63610 |
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The Benzaldehyde,2-hydroxy-4-nitro-, with the CAS registry number 2460-58-4, is also known as NSC82622. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Aromatics. Its EINECS registry number is 219-549-4. This chemical's molecular formula is C7H5NO4 and molecular weight is 167.1189. Its IUPAC name is called 2-hydroxy-4-nitrobenzaldehyde. This chemical is yellow crystalline solid.
Physical properties of Benzaldehyde,2-hydroxy-4-nitro-: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 1.18; (4)ACD/BCF (pH 5.5): 26.27; (5)ACD/BCF (pH 7.4): 2.56; (6)ACD/KOC (pH 5.5): 348.38; (7)ACD/KOC (pH 7.4): 34.01; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.666; (12)Molar Refractivity: 41.43 cm3; (13)Molar Volume: 111.3 cm3; (14)Surface Tension: 70.5 dyne/cm; (15)Density: 1.5 g/cm3; (16)Flash Point: 141.8 °C; (17)Enthalpy of Vaporization: 57.19 kJ/mol; (18)Boiling Point: 309.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000355 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])O)C=O
(2)InChI: InChI=1S/C7H5NO4/c9-4-5-1-2-6(8(11)12)3-7(5)10/h1-4,10H
(3)InChIKey: HHDPXULKSZZACU-UHFFFAOYSA-N