CAS No.53413-67-5,4,5-Dimethoxy-2-nitrobenzyl bromide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	53413-67-5
Name:	4,5-Dimethoxy-2-nitrobenzyl bromide
Article Data:	11

Formula:	C₉H₁₀BrNO₄
Molecular Weight:	276.087
Synonyms:	1-Bromomethyl-4,5-dimethoxy-2-nitrobenzene;4,5-Dimethoxy-2-nitrobenzyl bromide;6-Nitroveratryl bromide;
Density:	1.544 g/cm³
Melting Point:	131-133 °C(lit.)
Boiling Point:	372.3 °C at 760 mmHg
Flash Point:	179 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	22-26-27-36/37/39-45
PSA:	64.28000
LogP:	3.03010

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Specification

The Benzene,1-(bromomethyl)-4,5-dimethoxy-2-nitro-, with the CAS registry number 53413-67-5, is also known as 4,5-Dimethoxy-2-Nitrobenzyl Bromide. This chemical's molecular formula is C₉H₁₀BrNO₄ and molecular weight is 276.08. What's more, its IUPAC name is 1-(bromomethyl)-4,5-dimethoxy-2-nitrobenzene.

Physical properties of Benzene,1-(bromomethyl)-4,5-dimethoxy-2-nitro- are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 87.28; (6)ACD/BCF (pH 7.4): 87.28; (7)ACD/KOC (pH 5.5): 852.92; (8)ACD/KOC (pH 7.4): 852.92; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.28 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 58.8 cm³; (15)Molar Volume: 178.7 cm³; (16)Polarizability: 23.31×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.544 g/cm³; (19)Flash Point: 179 °C; (20)Enthalpy of Vaporization: 59.51 kJ/mol; (21)Boiling Point: 372.3 °C at 760 mmHg; (22)Vapour Pressure: 2.07E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-nitroveratryl alcohol. It will need reagents PBr₃, pyridine and solvent benzene with the reaction time of 24 hours. The yield is about 64.6%.

Benzene,1-(bromomethyl)-4,5-dimethoxy-2-nitro- can be prepared by 6-nitroveratryl alcohol

Uses of Benzene,1-(bromomethyl)-4,5-dimethoxy-2-nitro-: it can be used to produce 2-(4,5-dimethoxy-2-nitro-benzyloxy)-ethanol at the temperature of 100°C. The reaction time is 20 min. The yield is about 50%.

Benzene,1-(bromomethyl)-4,5-dimethoxy-2-nitro- can be used to produce 2-(4,5-dimethoxy-2-nitro-benzyloxy)-ethanol at the temperature of 100°C

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It may also cause burns. When using it, be carefull not to breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. What's more, you should take off immediately all contaminated clothing. And you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(cc(OC)c(OC)c1)CBr
(2)Std. InChI: InChI=1S/C9H10BrNO4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,5H2,1-2H3
(3)Std. InChIKey: UEKFEYNZISYRRH-UHFFFAOYSA-N