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3-Bromotoluene

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Name

3-Bromotoluene

EINECS 209-702-3
CAS No. 591-17-3 Density 1.403 g/cm3
PSA 0.00000 LogP 2.75750
Solubility insoluble in water Melting Point -40 °C
Formula C7H7Br Boiling Point 182.1 °C at 760 mmHg
Molecular Weight 171.037 Flash Point 60 °C
Transport Information UN 1993 3/PG 3 Appearance colorless to light yellow liquid
Safety 26-36-37/39 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 591-17-3 (3-Bromotoluene) Hazard Symbols HarmfulXn, IrritantXi
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;

Article Data 53

3-Bromotoluene Chemical Properties

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

3-Bromotoluene Uses

 3-Bromotoluene (CAS NO.591-17-3) can be used in organic synthesis, also used for raw materials and intermediate in pharmaceutical industry.

3-Bromotoluene 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.

3-Bromotoluene Consensus Reports

Reported in EPA TSCA Inventory.

3-Bromotoluene 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: HarmfulXn,IrritantXi
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

3-Bromotoluene 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.

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