| Identification | More | [Name]
3-Bromotoluene | [CAS]
591-17-3 | [Synonyms]
1-BROMO-3-METHYLBENZENE
3-BROMO-1-METHYLBENZENE
3-BROMOTOLUENE
m-Bromomethyl benzene
M-BROMOTOLUENE
M-TOLYL BROMIDE
1-Brom-3-methylbenzol
1-bromo-3-methyl-benzen
3-bromo-toluen
3-Bromtoluol
3-Methyl-1-bromobenzene
3-Methylbromobenzene
3-Methyl-bromobenzene
3-Methylphenylbromide
3-Tolylbromide
5-Bromotoluene
Benzene,1-bromo-3-methyl-
m-bromo-toluen
m-Methylbromobenzene
m-Methylphenylbromide | [EINECS(EC#)]
209-702-3 | [Molecular Formula]
C7H7Br | [MDL Number]
MFCD00000085 | [Molecular Weight]
171.03 | [MOL File]
591-17-3.mol |
| Chemical Properties | Back Directory | [Appearance]
colorless to light yellow liqui | [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.)
| [Fp ]
140 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
0.05g/l | [form ]
Liquid | [color ]
Clear colorless to light yellow | [Specific Gravity]
1.410 | [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]
591-17-3(EPA Substance) |
| Safety Data | Back Directory | [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 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
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 | [TSCA ]
Yes | [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 Information | Back Directory | [General Description]
Clear colorless liquid. | [Reactivity Profile]
M-BROMOTOLUENE(591-17-3) is incompatible with strong oxidizing agents. | [Air & Water Reactions]
Highly flammable. Insoluble in water. | [Fire Hazard]
This chemical is combustible. | [Chemical Properties]
colorless to light yellow liqui | [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 |
|
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
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| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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