A1219612
3-Bromotoluene , 98% , 591-17-3
CAS NO.：591-17-3
Empirical Formula: C7H7Br
Molecular Weight: 171.03
MDL number: MFCD00000085
EINECS: 209-702-3
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | -40 °C |
| Boiling point: | 183.7 °C(lit.) |
| Density | 1.41 g/mL at 25 °C(lit.) |
| vapor pressure | 2.04 hPa ( 25 °C) |
| refractive index | n |
| Flash point: | 140 °F |
| storage temp. | Store below +30°C. |
| solubility | 0.05g/l |
| form | Liquid |
| Specific Gravity | 1.410 |
| color | Clear colorless to light yellow |
| Water Solubility | insoluble |
| Merck | 14,1439 |
| BRN | 1903633 |
| Dielectric constant | 5.3600000000000003 |
| InChI | 1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
| InChIKey | WJIFKOVZNJTSGO-UHFFFAOYSA-N |
| SMILES | Cc1cccc(Br)c1 |
| CAS DataBase Reference | 591-17-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzene, 1-bromo-3-methyl-(591-17-3) |
| EPA Substance Registry System | m-Bromotoluene (591-17-3) |
Description and Uses
3-Bromotoluene was used in the precise determination of bromine isotope ratio in organic compounds by MC-ICPMS ( Multicollector-Inductively Coupled Plasma Mass Spectrometer). It undergoes palladium-catalyzed cyanation reaction in the presence of K4[Fe(CN)6] as the cyanide surrogate. It also undergoes palladium-catalyzed reaction with alkynyltriarylborates to yield trisubstituted alkenylboranes.
Safety
| Symbol(GHS) |    GHS02,GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H226-H302-H331-H411 |
| Precautionary statements | P210-P233-P240-P273-P301+P312-P304+P340+P311 |
| target organs | Respiratory system |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 26-36-37/39 |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| RTECS | XS7965400 |
| F | 8 |
| Hazard Note | Harmful/Irritant |
| TSCA | TSCA listed |
| HazardClass | 3 |
| HS Code | 29036990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |
| Hazardous Substances Data | 591-17-3(Hazardous Substances Data) |
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
