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Cas Database |
| Name |
o-Toluoyl chloride |
EINECS | 213-273-8 |
| CAS No. | 933-88-0 | Density | 1.17 g/cm3 |
| PSA | 17.07000 | LogP | 2.37400 |
| Solubility | Decomposes in water | Melting Point |
-18oC |
| Formula | C8H7ClO | Boiling Point | 213.5 °C at 760 mmHg |
| Molecular Weight | 154.596 | Flash Point | 84.1 °C |
| Transport Information | UN 3265 8/PG 2 | Appearance | clear pale yellow to yellow to faintly pink liquid |
| Safety | 23-26-27-36/37/39-45-24/25 | Risk Codes | 34-36/37 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
o-Toluoylchloride (6CI,7CI,8CI);2-Methylbenzoic acid chloride;2-Methylbenzoylchloride;2-Toluoyl chloride;o-Methylbenzoyl chloride;o-Toluic acid chloride; |
Article Data | 122 |
o-Toluoyl chloride Synthetic route
| 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% |
- 615-37-2
ortho-methylphenyl iodide
- 122-04-3
4-nitro-benzoyl chloride
A
- 636-98-6
p-nitrobenzene iodide
B
- 933-88-0
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 |
|---|---|
| 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 |
- 933-88-0
ortho-toluoyl chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: diethyl ether / Einleiten von Kohlendioxid 2: thionyl chloride View Scheme |
- 118-90-1
ortho-methylbenzoic acid
- 79-37-8
oxalyl dichloride
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 933-88-0
ortho-toluoyl chloride
| Conditions | Yield |
|---|---|
| In dichloromethane |
- 118-90-1
ortho-methylbenzoic acid
- 3416-93-1
2-(4,5-Dihydro-1,3-oxazol-2-yl)aniline
- 933-88-0
ortho-toluoyl chloride
| Conditions | Yield |
|---|---|
| With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide |
o-Toluoyl chloride Chemical Properties
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
o-Toluoyl chloride Safety Profile
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
o-Toluoyl chloride Specification
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.
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