Benzaldehyde,4-(methylamino)-3-nitro- supplier

Name
4-METHYLAMINO-3-NITRO-BENZALDEHYDE
EINECS
CAS No. 42564-41-0
Article Data3
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point
Formula C₈H₈N₂O₃
Boiling Point 341.5 °C at 760 mmHg
Molecular Weight 180.1607
Flash Point 160.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(Methylamino)-3-nitrobenzaldehyde;
PSA 74.92000
LogP 2.04520

Benzaldehyde,4-(methylamino)-3-nitro- Specification

The Benzaldehyde, 4-(methylamino)-3-nitro-, with the CAS registry number of 42564-41-0, is also known as 4-Methylamino-3-nitro-benzaldehyde. This chemical's molecular formula is C₈H₈N₂O₃ and molecular weight is 180.1607. What's more, its IUPAC name is 4-(Methylamino)-3-nitrobenzaldehyde.

Physical properties about are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 66.13 Å²; (7)Index of Refraction: 1.664; (8)Molar Refractivity: 49.16 cm³; (9)Molar Volume: 132.3 cm³; (10)Surface Tension: 58.8 dyne/cm; (11)Density: 1.36 g/cm³; (12)Flash Point: 160.3 °C; (13)Enthalpy of Vaporization: 58.51 kJ/mol; (14)Boiling Point: 341.5 °C at 760 mmHg; (15)Vapour Pressure: 8.03E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc(ccc1NC)C=O
(2) InChI: InChI=1/C8H8N2O3/c1-9-7-3-2-6(5-11)4-8(7)10(12)13/h2-5,9H,1H3
(3) InChIKey: PUJBBHWWDARUJE-UHFFFAOYAD

Product Name

4-METHYLAMINO-3-NITRO-BENZALDEHYDE

Benzaldehyde,4-(methylamino)-3-nitro- Specification

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