3-Chlorotoluene | Pharmaceutical Grade | 99.99% Purity | 10mg 20mg 30mg Vials | Lyophilized Powder | CAS 108-41-8

3-Chlorotoluene Basic information
Product Name: 3-Chlorotoluene
Synonyms: CHLOROTOLUENE (3-);M-CHLOROTOLUENE;META CHLORO TOLUENE;MCT;3-CHLOROTOLUENE;3-CHLORO-1-METHYLBENZENE;1-CHLORO-3-METHYLBENZENE;1-chloro-3-methyl-benzen
CAS: 108-41-8
MF: C7H7Cl
MW: 126.58
EINECS: 203-580-5
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Halogen toluene;Chlorine Compounds;Aryl;C7;Halogenated Hydrocarbons;Alpha sort;C;CAlphabetic;CH;Pesticides&Metabolites
Mol File: 108-41-8.mol
Shop 3-Chlorotoluene108-41-8C7H7Cl-Detailed Image 1

3-Chlorotoluene Chemical Properties
Melting point -48 °C (lit.)
Boiling point 160-162 °C (lit.)
density 1.072 g/mL at 25 °C (lit.)
vapor pressure 3.6 mbar @ 20 C
refractive index n20/D 1.522(lit.)
Fp 123 °F
storage temp. 0-6°C
solubility 0.04g/l
form Liquid
color Clear colorless to slightly yellow
explosive limit 1.3-8.3%(V)
Water Solubility slightly soluble
Merck 14,2171
BRN 1903632
Henry's Law Constant 6.1×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant 5.5499999999999998
Stability: Stable. Flammable. Incompatible with strong oxidizing agents.
InChI 1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey OSOUNOBYRMOXQQ-UHFFFAOYSA-N
SMILES Cc1cccc(Cl)c1
CAS DataBase Reference 108-41-8(CAS DataBase Reference)
NIST Chemistry Reference Benzene, 1-chloro-3-methyl-(108-41-8)
EPA Substance Registry System m-Chlorotoluene (108-41-8)

Safety Information
Hazard Codes Xn,N
Risk Statements 20-51/53
Safety Statements 24/25-61
RIDADR UN 2238 3/PG 3
WGK Germany 2
RTECS XS8990000
TSCA TSCA listed
HazardClass 3
PackingGroup III
HS Code 29039990
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Inhalation
Aquatic Chronic 2
Flam. Liq. 3
MSDS Information
Provider Language
1-Chloro-3-methylbenzene English
SigmaAldrich English
ACROS English
ALFA English

3-Chlorotoluene Usage And Synthesis
Chemical Properties o-Chlorotoluene is a flammable, colorless liquid with an aromatic odor. Insoluble in water, easily soluble in benzene, ethanol, ether and chloroform.
Uses 3-Chlorotoluene was used as catalyst in the synthesis of glycidyl methacrylate grafted multi-walled carbon nanotubes/polypropylene nanocomposites. It was used to study paramagnetic contributions from dioxygen to solute proton spin-lattice relaxation rate constants for a series of aromatic hydrocarbons and drug molecule fragments.
Application 3-Chlorotoluene is used as a reagent to synthesize 4-Arylchromene derivatives, compounds that induce apoptosis and act as anti-cancer agents. 3-Chlorotoluene is also used as an ingredient in deodorant, and is suspected to cause allergic contact dermatitis in humans.
Preparation 3-Chlorotoluene is obtained from m-toluidine by diazotization and substitution. Add m-toluidine to water, slowly add concentrated hydrochloric acid, and add sodium nitrite solution dropwise at 0-5°C. Then the diazo solution is added to the cuprous chloride for replacement reaction. The crude product generated is distilled to obtain the finished product. If the diazo salt is made into a zinc chloride complex salt of m-toluidine diazo salt, it is decomposed by reflux in ether, and the reactants are cooled, washed and dried. After recovering the ether, it is distilled at atmospheric pressure and m-chlorotoluene is obtained by collecting 160-162°C fraction. The advantage of this method is that the diazonium salt is not easy to hydrolyze and generate phenols.
General Description 3-Chlorotoluene is a colorless liquid. Specific gravity 1.072. Denser than water, thus sinks in water. Flash point less than 141°F. Vapors irritating and narcotic in high concentrations. Used as solvents and as an intermediate for making other chemicals and dyes.
Air & Water Reactions Flammable. Slightly soluble in water.
Reactivity Profile 3-Chlorotoluene is generally unreactive. May be incompatible with strong oxidizing and reducing agents. May be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Hazard Narcotic in high concentration. Avoid inhalation.
Health Hazard Inhalation causes upper respiratory irritation. Irritating to skin and eyes. May be absorbed through the skin. Prolonged exposure may result in systemic toxic effects. Harmful if swallowed.
Synthesis Toluene and phosphorus trichloride catalyst were added to a chlorination vessel and heated to boiling under good fluorescent light for 15–20 h. Chlorination was stopped when the internal temperature reached 215 °C. The product was then distilled under reduced pressure, and the fraction distilled at 97–98 °C (1.6 kPa) was collected to obtain 3-Chlorotoluene.
Potential Exposure o-Chlorotoluene is widely used as a solvent and intermediate in the synthesis of dyes, synthetic rubber; pharmaceuticals; and other organic chemicals. Used as an insecticide, bactericide.
Shipping UN2238 Chlorotoluenes, Hazard Class: 3; Labels: 3-Flammable liquid.
Purification Methods Purify it as for 2-chlorotoluene above. [Beilstein 5 IV 806.]
Incompatibilities Incompatible with acids, alkalis, oxidizers, reducing materials; water
Waste Disposal In accordance with 40CFR165 recommendations for the disposal of pesticides and pesticide containers. Must be disposed properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office.

3-Chlorotoluene Preparation Products And Raw materials
Raw materials Zinc chloride-->Copper(I) chloride-->m-Toluidine-->Benzene, 1-(chlorodimethylsilyl)-3-methyl--->2-CHLORO-6-METHYLBENZOIC ACID-->1-chloro-3-(iodomethyl)benzene-->Ethanedione, bis(3-methylphenyl)--->3-CHLORO-2-IODOTOLUENE-->1,2-DICHLOROTETRAMETHYLDISILANE-->3-Chlorobenzyl alcohol-->2-Chlorotoluene-->1-Bromo-4-chloro-2-methylbenzene-->2,5-DICHLOROTOLUENE-->3-Chlorobenzyl chloride-->3-Methylbenzoyl chloride
Preparation Products 2-Chlorobenzaldehyde-->3-Chlorobenzoic acid-->4-Chloro-2-Methyl-1-(trifluoroMethyl)benzene-->Methyl 3-chlorobenzoate-->3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene
3-Chlorotoluene Basic information
Product Name: 3-Chlorotoluene
Synonyms: CHLOROTOLUENE (3-);M-CHLOROTOLUENE;META CHLORO TOLUENE;MCT;3-CHLOROTOLUENE;3-CHLORO-1-METHYLBENZENE;1-CHLORO-3-METHYLBENZENE;1-chloro-3-methyl-benzen
CAS: 108-41-8
MF: C7H7Cl
MW: 126.58
EINECS: 203-580-5
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Halogen toluene;Chlorine Compounds;Aryl;C7;Halogenated Hydrocarbons;Alpha sort;C;CAlphabetic;CH;Pesticides&Metabolites
Mol File: 108-41-8.mol
Shop 3-Chlorotoluene108-41-8C7H7Cl-Detailed Image 2

3-Chlorotoluene Chemical Properties
Melting point -48 °C (lit.)
Boiling point 160-162 °C (lit.)
density 1.072 g/mL at 25 °C (lit.)
vapor pressure 3.6 mbar @ 20 C
refractive index n20/D 1.522(lit.)
Fp 123 °F
storage temp. 0-6°C
solubility 0.04g/l
form Liquid
color Clear colorless to slightly yellow
explosive limit 1.3-8.3%(V)
Water Solubility slightly soluble
Merck 14,2171
BRN 1903632
Henry's Law Constant 6.1×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant 5.5499999999999998
Stability: Stable. Flammable. Incompatible with strong oxidizing agents.
InChI 1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey OSOUNOBYRMOXQQ-UHFFFAOYSA-N
SMILES Cc1cccc(Cl)c1
CAS DataBase Reference 108-41-8(CAS DataBase Reference)
NIST Chemistry Reference Benzene, 1-chloro-3-methyl-(108-41-8)
EPA Substance Registry System m-Chlorotoluene (108-41-8)

Safety Information
Hazard Codes Xn,N
Risk Statements 20-51/53
Safety Statements 24/25-61
RIDADR UN 2238 3/PG 3
WGK Germany 2
RTECS XS8990000
TSCA TSCA listed
HazardClass 3
PackingGroup III
HS Code 29039990
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Inhalation
Aquatic Chronic 2
Flam. Liq. 3
MSDS Information
Provider Language
1-Chloro-3-methylbenzene English
SigmaAldrich English
ACROS English
ALFA English

3-Chlorotoluene Usage And Synthesis
Chemical Properties o-Chlorotoluene is a flammable, colorless liquid with an aromatic odor. Insoluble in water, easily soluble in benzene, ethanol, ether and chloroform.
Uses 3-Chlorotoluene was used as catalyst in the synthesis of glycidyl methacrylate grafted multi-walled carbon nanotubes/polypropylene nanocomposites. It was used to study paramagnetic contributions from dioxygen to solute proton spin-lattice relaxation rate constants for a series of aromatic hydrocarbons and drug molecule fragments.
Application 3-Chlorotoluene is used as a reagent to synthesize 4-Arylchromene derivatives, compounds that induce apoptosis and act as anti-cancer agents. 3-Chlorotoluene is also used as an ingredient in deodorant, and is suspected to cause allergic contact dermatitis in humans.
Preparation 3-Chlorotoluene is obtained from m-toluidine by diazotization and substitution. Add m-toluidine to water, slowly add concentrated hydrochloric acid, and add sodium nitrite solution dropwise at 0-5°C. Then the diazo solution is added to the cuprous chloride for replacement reaction. The crude product generated is distilled to obtain the finished product. If the diazo salt is made into a zinc chloride complex salt of m-toluidine diazo salt, it is decomposed by reflux in ether, and the reactants are cooled, washed and dried. After recovering the ether, it is distilled at atmospheric pressure and m-chlorotoluene is obtained by collecting 160-162°C fraction. The advantage of this method is that the diazonium salt is not easy to hydrolyze and generate phenols.
General Description 3-Chlorotoluene is a colorless liquid. Specific gravity 1.072. Denser than water, thus sinks in water. Flash point less than 141°F. Vapors irritating and narcotic in high concentrations. Used as solvents and as an intermediate for making other chemicals and dyes.
Air & Water Reactions Flammable. Slightly soluble in water.
Reactivity Profile 3-Chlorotoluene is generally unreactive. May be incompatible with strong oxidizing and reducing agents. May be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
Hazard Narcotic in high concentration. Avoid inhalation.
Health Hazard Inhalation causes upper respiratory irritation. Irritating to skin and eyes. May be absorbed through the skin. Prolonged exposure may result in systemic toxic effects. Harmful if swallowed.
Synthesis Toluene and phosphorus trichloride catalyst were added to a chlorination vessel and heated to boiling under good fluorescent light for 15–20 h. Chlorination was stopped when the internal temperature reached 215 °C. The product was then distilled under reduced pressure, and the fraction distilled at 97–98 °C (1.6 kPa) was collected to obtain 3-Chlorotoluene.
Potential Exposure o-Chlorotoluene is widely used as a solvent and intermediate in the synthesis of dyes, synthetic rubber; pharmaceuticals; and other organic chemicals. Used as an insecticide, bactericide.
Shipping UN2238 Chlorotoluenes, Hazard Class: 3; Labels: 3-Flammable liquid.
Purification Methods Purify it as for 2-chlorotoluene above. [Beilstein 5 IV 806.]
Incompatibilities Incompatible with acids, alkalis, oxidizers, reducing materials; water
Waste Disposal In accordance with 40CFR165 recommendations for the disposal of pesticides and pesticide containers. Must be disposed properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office.

3-Chlorotoluene Preparation Products And Raw materials
Raw materials Zinc chloride-->Copper(I) chloride-->m-Toluidine-->Benzene, 1-(chlorodimethylsilyl)-3-methyl--->2-CHLORO-6-METHYLBENZOIC ACID-->1-chloro-3-(iodomethyl)benzene-->Ethanedione, bis(3-methylphenyl)--->3-CHLORO-2-IODOTOLUENE-->1,2-DICHLOROTETRAMETHYLDISILANE-->3-Chlorobenzyl alcohol-->2-Chlorotoluene-->1-Bromo-4-chloro-2-methylbenzene-->2,5-DICHLOROTOLUENE-->3-Chlorobenzyl chloride-->3-Methylbenzoyl chloride
Preparation Products 2-Chlorobenzaldehyde-->3-Chlorobenzoic acid-->4-Chloro-2-Methyl-1-(trifluoroMethyl)benzene-->Methyl 3-chlorobenzoate-->3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene