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| CAS No.: | 106-43-4 |
|---|---|
| Name: | 4-Chlorotoluene |
| Article Data: | 315 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7Cl |
| Molecular Weight: | 126.586 |
| Synonyms: | Toluene,p-chloro- (8CI);1-Chloro-4-methylbenzene;1-Methyl-4-chlorobenzene;4-Chloro-1-methylbenzene;4-Methylchlorobenzene;4-Methylphenyl chloride;4-Tolyl chloride;NSC 404114;p-Chloromethylbenzene;p-Chlorotoluene;p-Methylchlorobenzene;p-Tolyl chloride;para-Chlorotoluene; |
| EINECS: | 203-397-0 |
| Density: | 1.075 g/cm3 |
| Melting Point: | 6-8 °C(lit.) |
| Boiling Point: | 158.5 °C at 760 mmHg |
| Flash Point: | 46.2 °C |
| Solubility: | <0.1 g/100 mL at 20 °C |
| Appearance: | clear liquid |
| Hazard Symbols: |
 Xn, N, T, F
|
| Risk Codes: | 20-51/53-39/23/24/25-23/24/25-11-10 |
| Safety: | 24/25-61-45-36/37-16-7 |
| Transport Information: | UN 2238 3/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.64840 |
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| Conditions | Yield |
|---|---|
| With hydrazine hydrate; C23H40MnNO2P2; potassium tert-butylate In tert-butyl alcohol at 115℃; for 48h; Wolff-Kishner Reduction; Green chemistry; | 99% |
| With carbon monoxide; hydrogen; benzene at 190℃; under 176522 Torr; Reagens 4: Octacarbonyldikobalt, Reagens 5: Kobaltcarbonat; | |
| With 2,4,6-trimethyl-pyridine; 4,4'-dimethoxyphenyl disulfide; iridium(lll) bis[2-(2,4-difluorophenyl)-5-methylpyridine-N,C20]-4,40-di-tert-butyl-2,20-bipyridine hexafluorophosphate; triphenylphosphine In toluene for 24h; Irradiation; | 74 %Chromat. |
| Conditions | Yield |
|---|---|
| With nickel dichloride In N,N-dimethyl-formamide at 170℃; for 0.0833333h; microwave irradiation; | 99% |
| With bis(1,5-cyclooctadiene)nickel (0); potassium phosphate; tetrabutyl-ammonium chloride; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 20℃; for 30h; Inert atmosphere; Glovebox; Sealed tube; Irradiation; | 7 %Chromat. |
| Conditions | Yield |
|---|---|
| With nickel dichloride In N,N-dimethyl-formamide at 170℃; for 0.0833333h; microwave irradiation; | 95% |
| With trans-bis(glycinato)copper(II) monohydrate; tetramethlyammonium chloride In ethanol at 100℃; for 10h; Reagent/catalyst; Finkelstein Reaction; Schlenk technique; Inert atmosphere; | 93% |
| With CuCl-alumina In various solvent(s) at 150℃; for 12h; | 67% |
| With copper(I) oxide; tetramethlyammonium chloride; L-proline In ethanol at 110℃; for 20h; Inert atmosphere; | 98 %Chromat. |
| With iron(III) chloride; sodium chloride In acetonitrile for 2h; Kinetics; Irradiation; Green chemistry; regioselective reaction; |
| Conditions | Yield |
|---|---|
| With palladium; triphenylphosphine In tetrahydrofuran at 70℃; for 12h; Catalytic behavior; Negishi Coupling; Inert atmosphere; Green chemistry; | 95% |
| Conditions | Yield |
|---|---|
| With potassium nitrite; potassium chloride; sodium chloride; iron(II) bromide In water at 20 - 80℃; for 6.16667h; Temperature; | 91% |
| Stage #1: p-toluidine With para-dodecylbenzenesulfonic acid; sodium nitrite In tetrachloromethane at 20℃; Stage #2: With triethylamine In tetrachloromethane at 70℃; | 45% |
| With tert.-butylnitrite; copper dichloride In acetonitrile |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; cetyltributylphosphonium bromide In water; toluene at 18℃; for 0h; Product distribution; | 91% |
| With sodium tetrahydroborate; water In methanol at 20℃; for 0.25h; regioselective reaction; | 81% |
| With phosphonic Acid; iodine In 1,2-dichloro-ethane at 120℃; for 36h; Inert atmosphere; | 98 %Chromat. |
| With dithionite(2-) In aq. phosphate buffer; acetonitrile at 4℃; pH=7; Kinetics; Inert atmosphere; |
- 106-43-4
para-chlorotoluene
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide Ambient temperature; | 89% |
| Conditions | Yield |
|---|---|
| With methanol; magnesium Ambient temperature; | 87% |
| With sodium tetrahydroborate In various solvent(s) at 70℃; for 2h; | 76% |
| With Perbenzoic acid; tri-n-butyl-tin hydride In benzene at 90℃; for 12h; Mechanism; in the presence of α-chlorotoluene (competitor), relative reactivity; |
| Conditions | Yield |
|---|---|
| With di-tert-butyl peroxide; triethyl phosphite In toluene | 87% |
| With di-tert-butyl peroxide; triethyl phosphite In acetonitrile at 25℃; for 6h; Irradiation; | 87% |
| With hexacarbonyl molybdenum In tetrahydrofuran Heating; | 61% |
| dicobalt octacarbonyl In water; benzene at 185 - 190℃; under 46543.3 Torr; | 44% |
- 57573-52-1
4-methylbenzene diazonium
- 106-43-4
para-chlorotoluene
| Conditions | Yield |
|---|---|
| With tin(II); chloride; copper(II) nitrate In water Ambient temperature; | 80% |
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Chemistry
Product Name: 4-chlorotoluene (CAS NO.106-43-4)
Molecular Formula: C7H7Cl
Molecular Weight: 126.58g/mol
Mol File: 106-43-4.mol
EINECS: 203-397-0
Melting Point: 6-8 °C(lit.)
Boiling point: 158.5 °C at 760 mmHg
Storage Temperature: 0-6°C
Flash Point: 46.2 °C
Density: 1.075 g/cm3
Refractive index: n20/D 1.52(lit.)
Water Solubility: <0.1 g/100 mL at 20 ºC
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
Index of Refraction: 1.523
Molar Refractivity: 35.97 cm3
Molar Volume: 117.6 cm3
Surface Tension: 32.4 dyne/cm
Enthalpy of Vaporization: 37.89 kJ/mol
Vapour Pressure: 3.39 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of 4-chlorotoluene (CAS NO.106-43-4):
IUPAC Name: 1-chloro-4-methylbenzene
Canonical SMILES: CC1=CC=C(C=C1)Cl
InChI: InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey: NPDACUSDTOMAMK-UHFFFAOYSA-N
Product Categories: Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); Pesticides&Metabolites; Aryl; C7; Halogenated Hydrocarbons; Alpha Sort; CAlphabetic; Volatiles/ Semivolatiles; Alphabetic; C; CH
Uses
4-chlorotoluene is used as the intermediates of organic reagents, pharmaceutical intermediates,and 4-chlorotoluene also used in the process of synthesis of Chlorobenzaldehyde
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | unreported | 3750mg/kg (3750mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(2), Pg. 67, 1981. |
| mouse | LC50 | inhalation | 34gm/m3/2H (34000mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 38, 1982. | |
| mouse | LD50 | oral | 1900mg/kg (1900mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 38, 1982. | |
| mouse | LD50 | unreported | 4gm/kg (4000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: EXCITEMENT | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(2), Pg. 67, 1981. |
| rat | LD50 | oral | 2100mg/kg (2100mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Office of Toxic Substances Report. Vol. OTS0513162, |
| rat | LD50 | unreported | 4gm/kg (4000mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(12), Pg. 64, 1980. |
Safety Profile
Safety Information of 4-chlorotoluene (CAS NO.106-43-4):
Hazard Codes: Xn
,N
,T
,F
Risk Statements: 20-51/53-39/23/24/25-23/24/25-11-10
R20:Harmful by inhalation.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R39:Danger of very serious irreversible effects.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R11:Highly flammable.
R10:Flammable.
Safety Statements: 24/25-61-45-36/37-16-7
S24/25:Avoid contact with skin and eyes.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37:Wear suitable protective clothing and gloves.
S16:Keep away from sources of ignition.
S7:Keep container tightly closed.
RIDADR: UN 2238 3/PG 3
WGK Germany: 2
RTECS: XS9010000
Hazard Note: Harmful
HazardClass: 3
PackingGroup: III
HS Code: 29036990
Specification
4-chlorotoluene , its CAS NO. is 106-43-4, the synonyms are Synonyms 1-Chloro-4-methylbenzene ; 1-Methyl-4-chlorobenzene ; 4-Chloro-1-methylbenzene ; 4-Chlorotoluene ; Benzene, 1-chloro-4-methyl- ; Toluene, p-chloro- ; p-Chlorotoluene ; p-Tolyl chloride .