A6146312
4-Nitrobenzyl bromide , 99% , 100-11-8
Synonym(s):
α-Bromo-4-nitrotoluene
CAS NO.：100-11-8
Empirical Formula: C7H6BrNO2
Molecular Weight: 216.03
MDL number: MFCD00007373
EINECS: 202-820-6
Update time: 2022-07-08
PRODUCT Properties
| 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 |
| Water Solubility | It hydrolyzes in water. Soluble in alcohol and ether. |
| BRN | 742796 |
| Stability: | Stable. Incomaptible with bases, amines, oxidizing agents, alcohols. May be moisture sensitive. Corrodes steel. |
| 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 | Benzene, 1-(bromomethyl)-4-nitro- (100-11-8) |
Description and 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.
Safety
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H314-H335 |
| Precautionary statements | P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338 |
| Hazard Codes | C,Xi |
| Risk Statements | 34 |
| Safety Statements | 26-36/37/39-45 |
| 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 |
| Limited Quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
