3-Nitrobenzyl bromide

Product Name: 3-Nitrobenzyl bromide (CAS NO.3958-57-4)

Molecular Formula: C₇H₆BrNO₂
Molecular Weight: 216.03g/mol
Mol File: 3958-57-4.mol
EINECS: 223-557-3
Appearance: Pale Yellow Crystalline Solid 
Melting Point: 58-59 °C(lit.)
Boiling point: 300.9 °C at 760 mmHg
Flash Point: 135.8 °C
Density: 1.652 g/cm³
Water Solubility: insoluble
Index of Refraction: 1.611 
Molar Refractivity: 45.44 cm³ 
Molar Volume: 130.7 cm³ 
Surface Tension: 52.3 dyne/cm
Enthalpy of Vaporization: 51.94 kJ/mol
Vapour Pressure: 0.00195 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 3-Nitrobenzyl bromide (CAS NO.3958-57-4):
  IUPAC Name: 1-(bromomethyl)-3-nitrobenzene
  Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CBr
  InChI: InChI=1S/C7H6BrNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2 
  InChIKey: LNWXALCHPJANMJ-UHFFFAOYSA-N
Product Categories: Halides; Aromatics Compounds; Aromatics

Safety Information of 3-Nitrobenzyl bromide (CAS NO.3958-57-4):
Hazard Codes: C
Risk Statements: 34-36/37  
R34:Causes burns. 
R36/37:Irritating to eyes and respiratory system.
Safety Statements: 26-27-28-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27:Take off immediately all contaminated clothing. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup: II

 3-Nitrobenzyl bromide , its CAS NO. is 3958-57-4, the synonyms are 1-(Bromomethyl)-3-nitrobenzene ; 2-Nitrobenzyl benzoate ; Toluene, alpha-bromo-m-nitro- ; alpha-Bromo-m-nitrotoluene ; m-(Bromomethyl)nitrobenzene ; m-Nitro-alpha-bromotoluene ; Benzene, 1-(bromomethyl)-3-nitro- ;  alpha-Bromo-3-nitrotoluene ; m-Nitrobenzyl bromide .