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CAS No.: | 933-88-0 |
---|---|
Name: | o-Toluoyl chloride |
Article Data: | 122 |
Molecular Structure: | |
Formula: | C8H7ClO |
Molecular Weight: | 154.596 |
Synonyms: | o-Toluoylchloride (6CI,7CI,8CI);2-Methylbenzoic acid chloride;2-Methylbenzoylchloride;2-Toluoyl chloride;o-Methylbenzoyl chloride;o-Toluic acid chloride; |
EINECS: | 213-273-8 |
Density: | 1.17 g/cm3 |
Melting Point: | -18oC |
Boiling Point: | 213.5 °C at 760 mmHg |
Flash Point: | 84.1 °C |
Solubility: | Decomposes in water |
Appearance: | clear pale yellow to yellow to faintly pink liquid |
Hazard Symbols: | C |
Risk Codes: | 34-36/37 |
Safety: | 23-26-27-36/37/39-45-24/25 |
Transport Information: | UN 3265 8/PG 2 |
PSA: | 17.07000 |
LogP: | 2.37400 |
Conditions | Yield |
---|---|
With oxalyl dichloride In benzene at 20℃; for 14h; | 100% |
With thionyl chloride Reflux; | 100% |
With thionyl chloride; N,N-dimethyl-formamide at 90℃; for 3h; Concentration; Reagent/catalyst; Temperature; | 99.7% |
Conditions | Yield |
---|---|
With bis(tri-t-butylphosphine)palladium(0); benzyltriphenylphosphonium chloride In toluene at 110℃; under 38002.6 Torr; for 24h; Glovebox; Autoclave; Inert atmosphere; | 93% |
Conditions | Yield |
---|---|
With o-chlorobenzoyl chloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 12h; | 70% |
ortho-methylphenyl iodide
4-nitro-benzoyl chloride
A
p-nitrobenzene iodide
B
ortho-toluoyl chloride
Conditions | Yield |
---|---|
With (Xantphos)Pd(4-C6H4NO2)(I) In benzene at 90℃; for 20h; Sealed tube; Inert atmosphere; | A n/a B 68% |
Conditions | Yield |
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Stage #1: o-xylene With ruthenium(II) chloride; C88H48Cl8Fe2N8O; oxygen at 185℃; under 10501.1 Torr; Stage #2: With thionyl chloride Reagent/catalyst; Temperature; Pressure; | A 63.1% B 10.1% |
Stage #1: o-xylene With ruthenium(II) chloride; C88H48Cl8Fe2N8O; oxygen at 185℃; under 10501.1 Torr; Stage #2: With thionyl chloride Reagent/catalyst; Temperature; Pressure; | A 24.1% B 38.7% |
Conditions | Yield |
---|---|
With phosphorus pentachloride; trichlorophosphate |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: diethyl ether / Einleiten von Kohlendioxid 2: thionyl chloride View Scheme |
ortho-toluoyl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: diethyl ether / Einleiten von Kohlendioxid 2: thionyl chloride View Scheme |
ortho-methylbenzoic acid
oxalyl dichloride
N,N-dimethyl-formamide
ortho-toluoyl chloride
Conditions | Yield |
---|---|
In dichloromethane |
ortho-methylbenzoic acid
2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline
ortho-toluoyl chloride
Conditions | Yield |
---|---|
With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide |
Molecular Structure of Benzoyl chloride,2-methyl- (CAS No.933-88-0):
Molecular Formula: C8H7ClO
Molecular Weight: 154.59358
IUPAC Name: 2-Methylbenzoyl chloride
CAS No: 933-88-0
EINECS: 213-273-8
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.537
Molar Refractivity: 41.32 cm3
Molar Volume: 132.1 cm3
Surface Tension: 38.3 dyne/cm
Density: 1.17 g/cm3
Flash Point: 84.1 °C
Enthalpy of Vaporization: 44.98 kJ/mol
Boiling Point: 213.5 °C at 760 mmHg
Vapour Pressure: 0.164 mmHg at 25°C
Sensitive: Moisture Sensitive
Refractive Index Benzoyl chloride,2-methyl- (CAS No.933-88-0): 1.554-1.556
Canonical SMILES: CC1=CC=CC=C1C(=O)Cl
InChI: InChI=1S/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
InChIKey: GPZXFICWCMCQPF-UHFFFAOYSA-N
Safety Information of Benzoyl chloride,2-methyl- (CAS No.933-88-0):
Hazard Codes: C
Risk Statements: 34-36/37
R34:Causes burns.
R36/37:Irritating to eyes and respiratory system.
Safety Statements: 23-26-27-36/37/39-45-24/25
S23:Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
F: 10-19-21
Hazard Note: Corrosive/Moisture Sensitive
HazardClass: 8
PackingGroup: II
HS Code: 29163900
Benzoyl chloride,2-methyl- (CAS No.933-88-0), it also can be called 2-Methylbenzoyl chloride ; o-Toluenecarbonyl chloride ; Benzoyl chloride, 2-methyl- ; O-Toluoylchloride ; 2-Methyl benzoylchloride ; 2-Methylbenzoyl chloride 98% . It is clear pale yellow to yellow to faintly pink liquid.