2-Bromo-4-methyl-5-nitrobenzaldehyde supplier

Name
2-Bromo-4-methyl-5-nitrobenzaldehyde
EINECS
CAS No. 159730-72-0
Article Data5
CAS DataBase
Density 1.678 g/cm³
Solubility
Melting Point
Formula C₈H₆BrNO₃
Boiling Point 318.808 °C at 760 mmHg
Molecular Weight 244.045
Flash Point 146.61 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-4-methyl-5-nitrobenzaldehyde;
PSA 62.89000
LogP 3.00140

2-Bromo-4-methyl-5-nitrobenzaldehyde Specification

The 2-Bromo-4-methyl-5-nitrobenzaldehyde with the CAS number 159730-72-0 is also called Benzaldehyde,2-bromo-4-methyl-5-nitro-. Its molecular formula is C₈H₆BrNO₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.39; (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): 38; (6)ACD/BCF (pH 7.4): 38; (7)ACD/KOC (pH 5.5): 473; (8)ACD/KOC (pH 7.4): 473; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 52.066 cm³; (15)Molar Volume: 145.401 cm³; (16)Polarizability: 20.641×10^-24cm³; (17)Surface Tension: 54.994 dyne/cm; (18)Enthalpy of Vaporization: 56.034 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(c(cc1N(=O)=O)C=O)Br
(2)InChI: InChI=1/C8H6BrNO3/c1-5-2-7(9)6(4-11)3-8(5)10(12)13/h2-4H,1H3
(3)InChIKey: OKHCEMLRYRLMEX-UHFFFAOYAL

Product Name

2-Bromo-4-methyl-5-nitrobenzaldehyde

2-Bromo-4-methyl-5-nitrobenzaldehyde Specification

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