Basic information
- CAS
108-41-8- Standard SMILES
Cc1cccc(Cl)c1- InChIKey
OSOUNOBYRMOXQQ-UHFFFAOYSA-N- Molecular formula
- C7H7Cl
- Average molar mass
- 126.58 g/mol
- Monoisotopic mass
- 126.0236279
Overview
M-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.
Names & identifiers
- Preferred name
- 3-Chlorotoluene
- IUPAC
- 1-chloro-3-methylbenzene
- English name
- 3-Chlorotoluene
- Molecular formula
- C7H7Cl
- Molecular weight
- 126.58
Names & synonyms
3-Chlorotoluene108-41-81-Chloro-3-methylbenzeneM-CHLOROTOLUENEm-Tolyl chloride3-Chloro-1-methylbenzeneBenzene, 1-chloro-3-methyl-Toluene, m-chloro-1-Methyl-3-chlorobenzene3-METHYLCHLOROBENZENE5K8172K9TTNSC-8767
Show more names
MCTMETA CHLORO TOLUENE3-Chlortoluolm-ChlortoluolM-Chlorotoluenm-Tolylchloride3-Chlorobenzene
M-METHYLCHLOROBENZENEDTXSID4052841RefChem:93547DTXCID607852203-580-5meta-Chlorotoluene1-chloranyl-3-methyl-benzeneNSC 8767
Database identifiers
- CAS
108-41-8- PubChem CID
- 7931
- DTXSID
DTXSID4052841- ChEMBL
CHEMBL1797289- UNII
- 5K8172K9TT
- EC Number
- 203-580-5
- Nikkaji
- J1.497D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.8
Experimental & physicochemical properties
SolventsSolvents -> Chlorinated Aromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density1.0722 at 68 °F (USCG, 1999) - Denser than water; will sink
Flash Point
126 °F (NTP, 1992)
126 °F
Boiling Point324 °F at 760 mmHg (NTP, 1992)
Melting Point-54 °F (NTP, 1992)
Vapor Pressure
10 mmHg at 109.8 °F (NTP, 1992)
3.68 [mmHg]
Physical Description
M-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.
Colorless liquid; [Hawley]
Physicochemical properties
- Melting point
- -48 °C · -48 °C (lit.)
- Boiling point
- 160 · 160-162 °C (lit.)
- Density
- 1.072 g/mL · 1.072 g/mL at 25 °C (lit.)
- vapor pressure
- 3.6 mbar · 3.6 mbar @ 20 C
- refractive index
- 20 · n20/D 1.522(lit.)
- Flash point
- 123 °F · 123 °F
- storage temp.
- 0 · 0-6°C
- solubility
- 0.04 g/l · 0.04g/l
- form
- Liquid
- color
- Clear colorless to slightly yellow
- explosive limit
- 1.3 · 1.3-8.3%(V)
- Water Solubility
- slightly soluble
- Merck
- 14 · 14,2171
- BRN
- 1903632 · 1903632
- Henry's Law Constant
- 6.1 · 6.1×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Dielectric constant
- 5.55 · 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 · 108-41-8(CAS DataBase Reference)
- FDA UNII
- 5 K8172K9TT · 5K8172K9TT
- NIST Chemistry Reference
- 1 · Benzene, 1-chloro-3-methyl-(108-41-8)
- EPA Substance Registry System
- m-Chlorotoluene (108-41-8)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 332 · H332-H411-H226
- Precautionary statements
- 501 · P501-P273-P240-P261-P210-P233-P243-P241-P242-P271-P280-P370+P378-P391-P303+P361+P353-P304+P340+P312-P403+P235
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,N
- Risk Statements
- 20 · 20-51/53
- Safety Statements
- 24 · 24/25-61
- RIDADR
- 2238 · UN 2238 3/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 8990000 · XS8990000
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29039990 · 29039990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 InhalationAquatic · Acute Tox. 4 InhalationAquatic Chronic 2Flam. Liq. 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P271, P273, P304+P340, P317, P391, and P501 (click each P-code to see the statement)
Warning
H226 (95.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P332+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Benzene, 1-chloro-3-methyl-
Status: Active Update: 07-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19214
3-Chlorotoluene: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Liquid
Fire HazardsSpecial Hazards of Combustion Products: May contain toxic chloride fumes.
Health HazardsInhalation 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. (USCG, 1999)
Hazards SummaryA skin, eye, and respiratory tract irritant; [CAMEO] Causes narcosis in high concentrations; [Hawley] Harmful by inhalation; [MSDSonline]
Reactive GroupAryl Halides
Reactivity AlertsHighly Flammable
Reactivity ProfileM-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.
Air and Water ReactionsFlammable. Slightly soluble in water.
Hazard Classes and Categories
Flam. Liq. 3 (95.5%)
Acute toxicity - category 4
Flammable liquids - Category 3
Acute Tox. 4 *
Lower Explosive Limit (LEL)1.36 % (calculated) (USCG, 1999)
Safety & protection
Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and EvacuationExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Personal Protective Equipment (PPE)Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- XS8990000
- ridadr
- UN 2238 3/PG 3
- hs_code
- 29039990
- risk_code
- 20-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 24/25-61
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H332-H411-H226
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 InhalationAquatic Chronic 2Flam. Liq. 3
- Precautionary statements
- P501-P273-P240-P261-P210-P233-P243-P241-P242-P271-P280-P370+P378-P391-P303+P361+P353-P304+P340+P312-P403+P235
Chemistry & industry
Uses & manufacturing
UsesUsed as a solvent and to make other chemicals and dyes; [CAMEO]
General Manufacturing InformationBenzene, 1-chloro-3-methyl-: ACTIVE
Applications
Uses3-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.
General Description3-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.
Preparation methods
Preparation3-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.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
24 records
Compound notes
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