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| CAS No.: | 591-17-3 |
|---|---|
| Name: | 3-Bromotoluene |
| Article Data: | 53 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7Br |
| Molecular Weight: | 171.037 |
| Synonyms: | 3-Bromo-1-methylbenzene;3-Methyl-1-bromobenzene;m-Bromotoluene;Benzene, 1-bromo-3-methyl-;5-Bromotoluene;4-05-00-00827 (Beilstein Handbook Reference);Toluene, 3-bromo-;Toluene, m-bromo-;m-Methylbromobenzene;m-Tolyl bromide;3-Methylbromobenzene;1-Bromo-3-methylbenzene;1-bromo-3-methyl-benzene; |
| EINECS: | 209-702-3 |
| Density: | 1.403 g/cm3 |
| Melting Point: | -40 °C |
| Boiling Point: | 182.1 °C at 760 mmHg |
| Flash Point: | 60 °C |
| Solubility: | insoluble in water |
| Appearance: | colorless to light yellow liquid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36-37/39 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.75750 |
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Chemistry
IUPAC Name: 1-Bromo-3-methylbenzene
Following is the structure of 3-Bromotoluene (CAS NO.591-17-3):
Empirical Formula: C7H7Br
Molecular Weight: 171.0345
EINECS: 209-702-3
Index of Refraction: 1.548
Molar Refractivity: 38.76 cm3
Molar Volume: 121.8 cm3
Polarizability: 15.36 10-24cm3
Density: 1.403 g/cm3
Flash Point: 60 °C
Melting point: -40 °C
Water Solubility: insoluble
Surface Tension: 34.4 dyne/cm
Enthalpy of Vaporization: 40.12 kJ/mol
Boiling Point: 182.1 °C at 760 mmHg
Vapour Pressure: 1.12 mmHg at 25 °C
Appearance of 3-Bromotoluene (CAS NO.591-17-3): colorless to light yellow liqui
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives; Halogen toluene; Miscellaneous; Bromine Compounds; Aryl; C7; Halogenated Hydrocarbons
Canonical SMILES: CC1=CC(=CC=C1)Br
InChI: InChI=1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey: WJIFKOVZNJTSGO-UHFFFAOYSA-N
Uses
3-Bromotoluene (CAS NO.591-17-3) can be used in organic synthesis, also used for raw materials and intermediate in pharmaceutical industry.
Toxicity Data With Reference
| 1. | orl-mus LD50:1436 mg/kg | GISAAA Gigiena i Sanitariya. 44 (12)(1979),19. | ||
| 2. | ipr-mus LD50:1215 mg/kg | GISAAA Gigiena i Sanitariya. 44 (12)(1979),19. |
3-Bromotoluene (CAS NO.591-17-3) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic vapors of Br−.
Other safty informations about 3-Bromotoluene (CAS NO.591-17-3):
Hazard Codes: 
Xn,
Xi
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: XS7965400
F: 8
Hazard Note: Harmful/Irritant
HS Code: 29036990
Specification
3-Bromotoluene , its cas register number 591-17-3. It also can be called 1-Bromo-3-methylbenzene ; 3-Bromo-1-methylbenzene ; 3-Methyl-1-bromobenzene ; 3-Methylbromobenzene ; 5-Bromotoluene ; Benzene, 1-bromo-3-methyl- ; Toluene, 3-bromo- ; Toluene, m-bromo- ; m-Bromotoluene ; m-Methylbromobenzene ; and m-Tolyl bromide .
3-Bromotoluene (CAS NO.591-17-3) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials, ignition sources. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide, hydrogen bromide. However, its hazardous polymerization has not been reported.