3-Bromo-5-nitrotoluene supplier

Name
3-BROMO-5-NITROTOLUENE
EINECS 257-955-3
CAS No. 52488-28-5
Article Data20
CAS DataBase
Density 1.615 g/cm³
Solubility
Melting Point 68-72 °C
Formula C₇H₆BrNO₂
Boiling Point 269.5 °C at 760 mmHg
Molecular Weight 216.034
Flash Point 120 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Toluene,3-bromo-5-nitro- (6CI,7CI);
PSA 45.82000
LogP 3.18890

3-Bromo-5-nitrotoluene Specification

The Benzene,1-bromo-3-methyl-5-nitro-, with CAS registry number 52488-28-5, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)NitroCompounds. It has the systematic name of 1-bromo-3-methyl-5-nitrobenzene. And the chemical formula of this chemical is C₇H₆BrNO₂.

Physical properties of Benzene,1-bromo-3-methyl-5-nitro-: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 109.09; (6)ACD/BCF (pH 7.4): 109.09; (7)ACD/KOC (pH 5.5): 1000.56; (8)ACD/KOC (pH 7.4): 1000.56; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 45.31 cm³; (15)Molar Volume: 133.7 cm³; (16)Polarizability: 17.96×10^-24cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Enthalpy of Vaporization: 48.72 kJ/mol; (19)Vapour Pressure: 0.012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc([N+]([O-])=O)cc(c1)C
(2)InChI: InChI=1/C7H6BrNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3
(3)InChIKey: MWFDNXJPZUOTJB-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H6BrNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3
(5)Std. InChIKey: MWFDNXJPZUOTJB-UHFFFAOYSA-N

Product Name

3-BROMO-5-NITROTOLUENE

3-Bromo-5-nitrotoluene Specification

Related Products

Hot Products