CAS No.3913-23-3,2-METHOXY-5-NITROBENZYL BROMIDE Suppliers,MSDS download

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Molecular Structure:
CAS No.:	3913-23-3
Name:	2-METHOXY-5-NITROBENZYL BROMIDE
Article Data:	9

Formula:	C₈H₈BrNO₃
Molecular Weight:	246.06
Synonyms:	Anisole,2-(bromomethyl)-4-nitro- (7CI,8CI);2-(Bromomethyl)-1-methoxy-4-nitrobenzene;2-(Bromomethyl)-4-nitroanisole;2-Methoxy-5-nitrobenzyl bromide;Koshlandreagent 2;Koshland reagent No. 2;Koshland reagent number 2;
EINECS:	223-471-6
Density:	1.589g/cm³
Melting Point:	76-78 °C(lit.)
Boiling Point:	348.7 °C at 760 mmHg
Flash Point:	164.7 °C
Appearance:	UN 3261
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-27-36/37/39-45
PSA:	55.05000
LogP:	3.02150

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Specification

The Benzene,2-(bromomethyl)-1-methoxy-4-nitro-, with CAS registry number 3913-23-3, has the systematic name of 2-(bromomethyl)-1-methoxy-4-nitrobenzene. Besides this, it is also called 2-Methoxy-5-nitrobenzyl bromide. Its classification code is Mutation data. And the chemical formula of this chemical is C₈H₈BrNO₃. What's more, its EINECS is 223-471-6.

Physical properties of Benzene,2-(bromomethyl)-1-methoxy-4-nitro-: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 70.04; (6)ACD/BCF (pH 7.4): 70.04; (7)ACD/KOC (pH 5.5): 728.66; (8)ACD/KOC (pH 7.4): 728.66; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 52.12 cm³; (15)Molar Volume: 154.7 cm³; (16)Polarizability: 20.66×10^-24cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.589 g/cm³; (19)Flash Point: 164.7 °C; (20)Enthalpy of Vaporization: 56.97 kJ/mol; (21)Boiling Point: 348.7 °C at 760 mmHg; (22)Vapour Pressure: 9.94E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by formaldehyde and 1-methoxy-4-nitro-benzene. This reaction will need reagents NaBr, CH₃COOH, H₂SO₄. The yield is about42%.

Uses of Benzene,2-(bromomethyl)-1-methoxy-4-nitro-: it can be used to produce 2-methyl-4-nitro-anisole. This reaction will need reagent diethylzinc and solvents hexane, dimethylformamide. The reaction time is 1 hour(s) with reaction temperature of 25 ℃. The yield is about 56%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,2-(bromomethyl)-1-methoxy-4-nitro- may cause burns. 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. After using it, take off immediately all contaminated clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(OC)c(c1)CBr
(2)InChI: InChI=1/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3
(3)InChIKey: JRHMPHMGOGMNDU-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3
(5)Std. InChIKey: JRHMPHMGOGMNDU-UHFFFAOYSA-N