2-Nitrobenzyl bromide (3958-60-9),2-Nitrobenzyl bromide (3958-60-9) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
2-Nitrobenzyl bromide
CAS No.:
3958-60-9
Molecular Structure:
Formula:
C₇H₆BrNO₂
Molecular Weight:
232.03
Synonyms:
Toluene,a-bromo-o-nitro- (6CI,8CI);1-(Bromomethyl)-2-nitrobenzene;NSC 95415;o-(Bromomethyl)nitrobenzene;o-Nitrobenzyl bromide;a-Bromo-o-nitrotoluene;
EINECS:
223-558-9
Density:
1.652 g/cm³
Melting Point:
44-46 °C(lit.)
Boiling Point:
275.2 °C at 760 mmHg
Flash Point:
120.2 °C
Solubility:
insoluble in water
Appearance:
white to light yellow crystal powder
Hazard Symbols:
Risk Codes:
34
Safety Description:
26-36/37/39-45 Details
Transport Information:
UN 3261 8/PG 2

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Chemistry

Product Name: 2-Nitrobenzyl bromide (CAS NO.3958-60-9)

Molecular formula:C₇H₆BrNO₂
Molar mass: 216.03 g/mol
State : white to light yellow crystal powde
Flash Point: 120.2 °C
Melting point: 44-46 °C(lit.)
Boiling Point: 275.2 °C at 760 mmHg
Vapour Pressure: 0.00868 mmHg at 25°C
Density: 1.652 g/cm³Index of Refraction: 1.611
Molar Refractivity: 45.44 cm³
Molar Volume: 130.7 cm³
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 2-Nitrobenzyl bromide (CAS NO.3958-60-9):
IUPAC Name: 1-(bromomethyl)-2-nitrobenzene
Canonical SMILES: C1=CC=C(C(=C1)CBr)[N+](=O)[O-]
InChI: InChI=1S/C7H6BrNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChIKey: HXBMIQJOSHZCFX-UHFFFAOYSA-N
Product Categories: Aromatic Halides (substituted); Biochemistry; Nucleosides, Nucleotides & Related Reagents; Protecting Agents for Hydroxyl and Amino Groups; Protecting Agents, Phosphorylating Agents & Condensing Agents

Uses

2-Nitrobenzyl bromide (CAS NO.3958-60-9) has been used as intermediates of Organic synthesis . It has been used in the production expectorant agent:hydrochloride of Bromine amine ,too .

Production

By adding The carbon tetrachloride, o-nitro-toluene and azobisisobutyronitrile in aqueous solution into reaction tank, stirring heated, dropping bromine in carbon tetrachloride solution, then keep dropping back to finish and continue to return for 5-6h, at last ,bromide o-nitro benzyl bromide is generated.

Safety Profile

Decomposes exothermically at 100°C. It has caused plant scale explosions. When heated to decomposition it emits toxic fumes of NOx and Br−. See also 4-NITROBENZYL BROMIDE and NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Safety Information of 2-Nitrobenzyl bromide (CAS NO.3958-60-9):
Hazard Codes: C
Risk Statements:
34: Causes burns
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
F: 4.8-19-21
HazardClass: 8
PackingGroup: II
HS Code: 29049085

Specification

2-Nitrobenzyl bromide , its CAS NO. is 3958-60-9, the synonyms are alpha-Bromo-2-nitrotoluene ; o-Nitrobenzyl bromide ; 1-(Bromomethyl)-2-nitro-benzene .