4-Bromo-5-nitroveratrole supplier

Name
1-BROMO-4,5-DIMETHOXY-2-NITROBENZENE
EINECS 256-951-9
CAS No. 51072-66-3
Article Data22
CAS DataBase
Density 1.583 g/cm³
Solubility
Melting Point
Formula C₈H₈BrNO₄
Boiling Point 316.1 °C at 760 mmHg
Molecular Weight 262.06
Flash Point 145 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms Veratrole,4-bromo-5-nitro- (6CI);1-Bromo-3,4-dimethoxy-6-nitrobenzene;1-Bromo-4,5-dimethoxy-2-nitrobenzene;2-Bromo-4,5-dimethoxynitrobenzene;4,5-Dimethoxy-1-bromo-2-nitrobenzene;4-Bromo-5-nitroveratrole;
PSA 64.28000
LogP 2.89770

4-Bromo-5-nitroveratrole Specification

The 4-Bromo-5-nitroveratrole, with CAS registry number 51072-66-3, has the systematic name of 1-bromo-4,5-dimethoxy-2-nitrobenzene. Besides this, it is also called Benzene, 1-bromo-4,5-dimethoxy-2-nitro-. And the chemical formula of this chemical is C₈H₈BrNO₄.

Physical properties of 4-Bromo-5-nitroveratrole: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 135.41; (6)ACD/BCF (pH 7.4): 135.41; (7)ACD/KOC (pH 5.5): 1168; (8)ACD/KOC (pH 7.4): 1168; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 64.28 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 53.84 cm³; (15)Molar Volume: 165.4 cm³; (16)Polarizability: 21.34×10^-24cm³; (17)Surface Tension: 44.1 dyne/cm; (18)Enthalpy of Vaporization: 53.52 kJ/mol; (19)Vapour Pressure: 0.000776 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-bromo-1,2-dimethoxy-benzene. This reaction will need reagent nitric acid.

When you are using this chemical, please be cautious about it as the following:
The 4-Bromo-5-nitroveratrole is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(OC)c(OC)cc1Br
(2)InChI: InChI=1/C8H8BrNO4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,1-2H3
(3)InChIKey: DGUDEQARXVYDBS-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H8BrNO4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,1-2H3
(5)Std. InChIKey: DGUDEQARXVYDBS-UHFFFAOYSA-N

Product Name

1-BROMO-4,5-DIMETHOXY-2-NITROBENZENE

4-Bromo-5-nitroveratrole Specification

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