3-Bromotoluene
ALDRICH/167215 - 98%
CAS Number: 591-17-3
Empirical Formula (Hill Notation): C7H7Br
Molecular Weight: 171.03
EC Number: 209-702-3
MDL Number: MFCD00000085
Linear Formula: CH3C6H4Br
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 167215-100G.
| assay | 98% |
| bp | 183.7 °C (lit.) |
| density | 1.41 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C7H7Br/c1-6-3-2-4-7(8) |
| InChI key | WJIFKOVZNJTSGO-UHFFFAOYSA |
| mp | −40 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | Cc1cccc(Br)c1 |
| Application: | 3-Bromotoluene was used in the precise determination of bromine isotope ratio in organic compounds by MC-ICPMS ( Multicollector-Inductivel |
| General description: | 3-Bromotoluene is an electron-rich aryl bromide. It participates in the Heck reaction. 3-Bromotoluene undergoes palladium-catalyzed cyanation reaction in the presence of K4[Fe(CN)6] as the cyanide surrogate. It undergoes palladium-catalysed reaction with alkynyltriarylborates to yield trisubstituted alkenylboranes. |
| Packaging: | 25, 100 g in glass bottle |
| Symbol |    GHS02,GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H226 - H302 - H331 - H411 |
| Precautionary statements | P210 - P233 - P240 - P273 - P301 + P312 - P304 + P340 + P311 |
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 1993C 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 140.0 °F |
| Flash Point(C) | 60 °C |
| Purity | 98% |
| bp | 183.7 °C (lit.) |
| mp | −40 °C (lit.) |
| Density | 1.41 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |