3-Bromotoluene
- Product Name
- 3-Bromotoluene
- CAS No.
- 591-17-3
- Chemical Name
- 3-Bromotoluene
- Synonyms
- 1-BROMO-3-METHYLBENZENE;META-BROMOTOLUENE;3-Methylbromobenzene;3-BromotoL;3-Bromtoluol;3-Bromotolune;3-bromo-toluen;5-Bromotoluene;3-Tolylbromide;m-bromo-toluen
- CBNumber
- CB8437237
- Molecular Formula
- C7H7Br
- Formula Weight
- 171.03
- MOL File
- 591-17-3.mol
3-Bromotoluene Property
- 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
- n20/D 1.552(lit.)
- 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
- 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)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H226Flammable liquid and vapour
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233Keep container tightly closed.
P240Ground/bond container and receiving equipment.
P241Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242Use only non-sparking tools.
P243Take precautionary measures against static discharge.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P370+P378In case of fire: Use … for extinction.
P403+P235Store in a well-ventilated place. Keep cool.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 167215
- Product name
- 3-Bromotoluene
- Purity
- 98%
- Packaging
- 25g
- Price
- $64.2
- Updated
- 2026/04/30
- Product number
- 167215
- Product name
- 3-Bromotoluene
- Purity
- 98%
- Packaging
- 100g
- Price
- $194
- Updated
- 2026/04/30
- Product number
- B0660
- Product name
- 3-Bromotoluene
- Packaging
- 25G
- Price
- $52
- Updated
- 2026/04/30
- Product number
- B0660
- Product name
- 3-Bromotoluene
- Packaging
- 500G
- Price
- $445
- Updated
- 2026/04/30
- Product number
- B0660
- Product name
- 3-Bromotoluene
- Packaging
- 100G
- Price
- $150
- Updated
- 2026/04/30
3-Bromotoluene Chemical Properties,Usage,Production
Chemical Properties
colorless to light yellow liquid. Insoluble in water, soluble in ethanol and ether.
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.
Application
3-Bromotoluene is used as a solvent (for fats, waxes or resins, and as a medium for carrying out reactions) and as a chemical intermediate.
Preparation
Synthesis of 3-Bromotoluene: It is derived from 3-bromo-4-aminotoluene by diazotization and reduction. The mixture of 95% ethanol, concentrated sulfuric acid and 3-bromo-4-aminotoluene was stirred and cooled to 10°C, and sodium nitrite solution was added to keep the reaction temperature not exceeding 10°C. After adding, continue stirring for 20min. Add the copper powder washed with ether, heat carefully, stop heating after the reaction starts, nitrogen will be released violently, and acetaldehyde will be formed. Then steam distillation is carried out until no oily substance evaporates. Separate the organic phase from the distillate and wash with 10% sodium hydroxide, water, concentrated sulfuric acid, and 5% sodium carbonate solution in sequence. Dry with anhydrous calcium chloride, filter, distill, collect 180-183 ℃ (99.75kPa) fractions to obtain colorless pure 3-bromotoluene with a yield of over 50%.
Synthesis Reference(s)
Organic Syntheses, Coll. Vol. 1, p. 133, 1941
The Journal of Organic Chemistry, 57, p. 3772, 1992 DOI: 10.1021/jo00040a010
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.
Air & Water Reactions
Highly flammable. Insoluble in water.
Reactivity Profile
3-Bromotoluene is incompatible with strong oxidizing agents.
Fire Hazard
3-Bromotoluene is combustible.
3-Bromotoluene Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Bromotoluene manufacturers
- Product
- 3-Bromotoluene 591-17-3
- Price
- US $100.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-25
- Product
- 3-Bromotoluene 591-17-3
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 98.2%
- Supply Ability
- 100 tons
- Release date
- 2022-02-18
- Product
- 3-Bromotoluene 591-17-3
- Price
- US $1.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- Customized
- Release date
- 2018-12-20