| Identification | More | [Name]
4-Nitrobenzyl bromide | [CAS]
100-11-8 | [Synonyms]
1-(BROMOMETHYL)-4-NITROBENZENE
4NBB
4-NITROBENZYL BROMIDE
a-Brom-4-nitrotoluol
A-BROMO-P-NITROTOLUENE
AKOS BBS-00004545
ALPHA-BROMO-4-NITROTOLUENE
ALPHA-BROMO-P-NITROTOLUENE
NITROBENZYL-4 BROMIDE
PARA NITRO BENZYL BROMIDE
P-NITROBENZYL BROMIDE
1-(bromomethyl)-4-nitro-benzen
4-(bromomethyl)nitrobenzene
alpha-Bromoparanitrotoluene
alpha-bromo-p-nitro-toluen
-Bromo-4-nitro-toluene
Nitrobenzyl bromide
p-(Bromomethyl)nitrobenzene
p-Nitobenzylbromide
Toluene, alpha-bromo-4-nitro- | [EINECS(EC#)]
202-820-6 | [Molecular Formula]
C7H6BrNO2 | [MDL Number]
MFCD00007373 | [Molecular Weight]
216.03 | [MOL File]
100-11-8.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powde | [Melting point ]
98 °C | [Boiling point ]
265.51°C (rough estimate) | [density ]
1.6841 (rough estimate) | [refractive index ]
1.6120 (estimate) | [storage temp. ]
Store at RT. | [solubility ]
soluble in Chloroform, Ethyl Acetate | [form ]
Crystalline Powder | [color ]
Light yellow to beige | [Stability:]
Stable. Incomaptible with bases, amines, oxidizing agents, alcohols. May be moisture sensitive. Corrodes steel. | [Water Solubility ]
It hydrolyzes in water. Soluble in alcohol and ether. | [BRN ]
742796 | [InChI]
InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2 | [InChIKey]
VOLRSQPSJGXRNJ-UHFFFAOYSA-N | [SMILES]
C1(CBr)=CC=C([N+]([O-])=O)C=C1 | [CAS DataBase Reference]
100-11-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1-(bromomethyl)-4-nitro-(100-11-8) | [EPA Substance Registry System]
100-11-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
C,Xi | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
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 label where possible) . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [RTECS ]
XS7967000
| [F ]
10-19-21 | [Hazard Note ]
Irritant/Corrosive | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29049085 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powde | [Uses]
4-Nitrobenzyl bromide is used in the synthesis of di and tri-substituted azoles. It is also used in the preparation of N6-Benzyladenosine-5?-uronamides as selective A3 adenosine agonists. | [Definition]
ChEBI: A C-nitro compound that consists of nitrobenzene bearing a bromomethyl substituent at the para-position. | [Purification Methods]
Recrystallise the bromide four times from absolute EtOH, then twice from cyclohexane/hexane/*benzene (1:1:1), followed by sublimation at 0.1mm and final recrystallisation from the same solvent mixture. [Lichtin & Rao J Am Chem Soc 83 2417 1961.] It has also been crystallised from pet ether (b 80-100o, 10mL/g, charcoal). It slowly decomposes even when stored in a desiccator in the dark. IRRITANT. [Beilstein 5 IV 861.] |
|
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|