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Name |
3-Nitrobenzyl bromide |
EINECS | 223-557-3 |
CAS No. | 3958-57-4 | Density | 1.652 g/cm3 |
PSA | 45.82000 | LogP | 3.01290 |
Solubility | insoluble in water | Melting Point |
58-59 °C(lit.) |
Formula | C7H6BrNO2 | Boiling Point | 300.9 °C at 760 mmHg |
Molecular Weight | 216.034 | Flash Point | 135.8 °C |
Transport Information | UN 3261 8/PG 2 | Appearance | Pale yellow crystalline solid |
Safety | 26-27-28-36/37/39-45 | Risk Codes | 34-36/37 |
Molecular Structure | Hazard Symbols | ||
Synonyms |
Toluene,a-bromo-m-nitro- (6CI,7CI,8CI);1-Bromomethyl-3-nitrobenzene;3-(Bromomethyl)-1-nitrobenzene;3-(Bromomethyl)nitrobenzene;NSC 66499;m-(Bromomethyl)nitrobenzene;m-Nitro-a-bromotoluene;m-Nitrobenzyl bromide;m-Nitrobenzylbromide;a-Bromo-3-nitrotoluene;a-Bromo-m-nitrotoluene; |
Article Data | 48 |
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 .