3-Bromotoluene
- Product Name3-Bromotoluene
- CAS591-17-3
- CBNumberCB8437237
- MFC7H7Br
- MW171.03
- EINECS209-702-3
- MDL NumberMFCD00000085
- MOL File591-17-3.mol
Chemical 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 |
| Henry's Law Constant | 1.5×10-3 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 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) |
Safety
| Symbol(GHS) |
  GHS02,GHS07 |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H226 | |||||||||
| Precautionary statements | P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235 | |||||||||
| 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 |
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| 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) | |||||||||
| NFPA 704: |
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