3-Chlorotoluene
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3-Chlorotoluene
structure -
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CAS No:
108-41-8
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Formula:
C7H7Cl
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Chemical Name:
3-Chlorotoluene
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Synonyms:
Benzene,1-chloro-3-methyl-;Toluene,m-chloro-;1-Chloro-3-methylbenzene;3-Chloro-1-methylbenzene;m-Tolyl chloride;3-Chlorotoluene;1-Methyl-3-chlorobenzene;3-Methylchlorobenzene;m-Chlorotoluene;m-Methylchlorobenzene;NSC 8767;3-Methylphenyl chloride
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CAS No:
Description
colourless liquid o-Chlorotoluene is a flammable, colorless liquid with an aromatic odor.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.
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.
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.
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.
3-Chlorotoluene Basic Attributes
126.58
126.58
1903632
203-580-5
5K8172K9TT
8767
2238
DTXSID4052841
2903999090
Characteristics
0
3.27
Clear colorless to slightly yellow Liquid
1.07215 g/cm3 @ Temp: 20.00 °C
-47.8 °C
161.8 °C
123 °F
n 20/D 1.522(lit.)
H2O: slightly soluble
0-6°C
3.6 mbar @ 20 C
1.3-8.3%(V)
Flammable. Slightly soluble in water.
Aryl Halides
Highly Flammable
M-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.
Safety Information
III
3
UN 2238 3/PG 3
2
20-51/53
24/25-61
XS8990000
Xn,N
Stable. Flammable. Incompatible with strong oxidizing agents.
P273
H226-H332-H411
UN 2238
Special Hazards of Combustion Products: May contain toxic chloride fumes. Behavior in Fire: May produce toxic and irritating chloride fumes. (USCG, 1999)
|Warning|H226 (95.18%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P312, P321, P330, P332+P313, P362, P370+P378, P391, P403+P235, and P501|Aggregated GHS information provided by 83 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H332: Harmful if inhaled [Warning Acute toxicity, inhalation]|P261, P271, P273, P304+P312, P304+P340, P312, P391, and P501|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane (UN1261) or nitroethane (UN2842). LARGE FIRE: Water spray, fog or alcohol-resistant foam. Do not use straight streams. Move containers from fire area if you can do it without risk. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016)
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)
Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999)
Drug Information
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. (USCG, 1999)
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. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
3-chlorotoluene
3-Chlorotoluene Use and Manufacturing
It is obtained by diazotization and replacement of m-aminotoluene. Add m-aminotoluene to water, slowly add concentrated hydrochloric acid, and dropwise add sodium nitrite solution at 0-5°C. Then the diazonium liquid is added to the cuprous chloride to carry out the replacement reaction. The resulting crude product is distilled to obtain a finished product. If the diazonium salt is made into a zinc chloride double salt of m-toluidine diazonium salt, it is decomposed by refluxing in ether, and the reactant is cooled, washed with water, and dried. After recovering the ether, perform atmospheric distillation and collect 160-162°C fractions to obtain m-chlorotoluene. The advantage of this method is that the diazonium salt is not easily hydrolyzed to produce phenols.
Solvent, intermediate.
Benzene, 1-chloro-3-methyl-: ACTIVE
Analysis Methods
| Name | Column Shape | Active Phase(℃) | Retention index | Temperature Control | Method | Comments | Reference |
|---|---|---|---|---|---|---|---|
| Van Den Dool and Kratz RI, non-polar column, temperature ramp | Capillary | DB-1 | 927.7 | temperature ramp | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C | Sun, G.Stremple, P.Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. | |
| Van Den Dool and Kratz RI, non-polar column, temperature ramp | Capillary | OV-1 | 934.9 | temperature ramp | 8. K/min; Tstart: 35. C; Tend: 300. C | Gautzsch, R.Zinn, P.Use of incremental models to estimate the retention indexes of aromatic compoundsChromatographia1996, 43, 3/4, 163-176. | |
| Van Den Dool and Kratz RI, non-polar column, temperature ramp | Capillary | Petrocol DH | 933. | temperature ramp | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C | White, C.M.Hackett, J.Anderson, R.R.Kail, S.Spock, P.S.Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxaneJ. Hi. Res. Chromatogr.1992, 15, 2, 105-120. | |
| Van Den Dool and Kratz RI, non-polar column, temperature ramp | Capillary | E-301 | 954. | 100. | isothermal | N2; Column length: 50. m; Column diameter: 0.25 mm | Bermejo, J.Moinelo, S.R.Suarez Canga, C.Calculo de indices de retencion a patir de DI y de la polaridad de la faseCalculo de indices de retencion a patir de DI y de la polaridad de la fase, Instituto Nacional del Carbon y sus Derivados Francisco Pintado Fe (INCAR), La Corredoria, Oviedo, Espana, 1980, 13. |
| Van Den Dool and Kratz RI, non-polar column, temperature ramp | Capillary | Squalane | 944. | 100. | isothermal | N2; Column length: 50. m; Column diameter: 0.25 mm | Bermejo, J.Moinelo, S.R.Suarez Canga, C.Calculo de indices de retencion a patir de DI y de la polaridad de la faseCalculo de indices de retencion a patir de DI y de la polaridad de la fase, Instituto Nacional del Carbon y sus Derivados Francisco Pintado Fe (INCAR), La Corredoria, Oviedo, Espana, 1980, 13. |
Computed Properties
Molecular Weight:126.58
XLogP3:3.3
Exact Mass:126.0236279
Monoisotopic Mass:126.0236279
Heavy Atom Count:8
Complexity:70.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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