Benzene,2-bromo-1,3-dimethyl-5-nitro- supplier

Name
2-bromo-1,3-dimethyl-5-nitrobenzene
EINECS
CAS No. 53906-84-6
Article Data9
CAS DataBase
Density 1.533 g/cm³
Solubility
Melting Point
Formula C₈H₈BrNO₂
Boiling Point 301.5 °C at 760 mmHg
Molecular Weight 230.061
Flash Point 136.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-1,3-dimethyl-5-nitrobenzene;4-Bromo-3,5-dimethylnitrobenzene;
PSA 45.82000
LogP 3.49730

Benzene,2-bromo-1,3-dimethyl-5-nitro- Specification

The Benzene, 2-bromo-1, 3-dimethyl-5-nitro-, with the CAS registry number 53906-84-6, is also known as 4-Bromo-3, 5-dimethylnitrobenzene. This chemical's molecular formula is C₈H₈BrNO₂ and molecular weight is 230.0586. What's more, its systematic name is 2-Bromo-1, 3-dimethyl-5-nitrobenzene.

Physical properties about Benzene, 2-bromo-1, 3-dimethyl-5-nitro- are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 255.46; (6)ACD/BCF (pH 7.4): 255.46; (7)ACD/KOC (pH 5.5): 1839.77; (8)ACD/KOC (pH 7.4): 1839.77; (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: 1.583; (14)Molar Refractivity: 50.13 cm³; (15)Molar Volume: 150 cm³; (16)Polarizability: 19.87×10^-24 cm³; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.533 g/cm³; (19)Flash Point: 136.2 °C; (20)Enthalpy of Vaporization: 52 kJ/mol; (21)Boiling Point: 301.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00187 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c(cc([N+]([O-])=O)cc1C)C
(2) InChI: InChI=1/C8H8BrNO2/c1-5-3-7(10(11)12)4-6(2)8(5)9/h3-4H,1-2H3
(3) InChIKey: MDIUQZPRHOZKMG-UHFFFAOYAN

Product Name

2-bromo-1,3-dimethyl-5-nitrobenzene

Benzene,2-bromo-1,3-dimethyl-5-nitro- Specification

Related Products

Hot Products