| Identification | More | [Name]
2-(Trifluoromethyl)benzoyl chloride | [CAS]
312-94-7 | [Synonyms]
2-(Trifluoromethyl)benzene-1-carbonyl chloride
2-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
ALPHA,ALPHA,ALPHA-TRIFLUORO-O-TOLUOYL CHLORIDE
OTF-BOC
O-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
TIMTEC-BB SBB006689
Benzoyl chloride, 2-(trifluoromethyl)-
o-Trifluoromethylbenzoyl Chloride 2-Trifluoromethylbenzoyl Chloride
à,à,à-trifluoro-o-toluoyl chloride
α,α,α-trifluoro-o-toluoyl chloride
2-(Trifluoromethyl)benzoyl chloride 98%
2-(Trifluoromethyl)benzoylchloride98%
alpha,alpha,alpha-Trifluoro-o-toluoyl chloride
2-(Trifluoromethyl)benzoic acid chloride | [EINECS(EC#)]
206-233-6 | [Molecular Formula]
C8H4ClF3O | [MDL Number]
MFCD00000667 | [Molecular Weight]
208.56 | [MOL File]
312-94-7.mol |
| Chemical Properties | Back Directory | [Appearance]
colorlesstolightyellowliqui | [Melting point ]
-22 °C | [Boiling point ]
84-85 °C16 mm Hg(lit.) | [density ]
1.416 g/mL at 25 °C(lit.)
| [vapor pressure ]
60.66Pa at 25℃ | [refractive index ]
n20/D 1.479(lit.)
| [Fp ]
204 °F
| [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
Liquid | [color ]
Clear pink or yellow | [Specific Gravity]
1.416 | [Water Solubility ]
decomposes | [Sensitive ]
Lachrymatory | [Detection Methods]
GC,NMR | [BRN ]
881040 | [InChI]
1S/C8H4ClF3O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H | [InChIKey]
MXIUWSYTQJLIKE-UHFFFAOYSA-N | [SMILES]
FC(F)(F)c1ccccc1C(Cl)=O | [LogP]
2.086 | [CAS DataBase Reference]
312-94-7(CAS DataBase Reference) | [NIST Chemistry Reference]
2-(Trifluoromethyl)benzoyl chloride(312-94-7) | [Storage Precautions]
Store under nitrogen;Moisture sensitive |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS05 | [Signal word ]
Danger | [Hazard statements ]
H290-H318-H314 | [Precautionary statements ]
P309-P280-P305+P351+P338-P310-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501 | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns.
R37:Irritating to the respiratory system.
R29:Contact with water liberates toxic gas. | [Safety Statements ]
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 label where possible) .
S8:Keep container dry . | [RIDADR ]
UN 3265 8/PG 2
| [WGK Germany ]
3
| [F ]
19-21 | [Hazard Note ]
Corrosive/Lachrymatory | [REACH Registrations]
Inactive | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29163990 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Skin Corr. 1B | [Toxicity]
skn-rbt 500 mg/24H MOD FCTXAV 13,681,75 |
| Hazard Information | Back Directory | [Chemical Properties]
colorlesstolightyellowliqui | [Uses]
2-(Trifluoromethyl)benzoyl chloride may be used in chemical synthesis. | [Safety Profile]
A skin irritant. When heated todecomposition it emits acrid smoke and irritating fumes. | [Synthesis]
Step 2: Synthesis of 2-(trifluoromethyl)benzoyl chloride
Oxalyl chloride (36.72 mg, 0.29 mmol) was slowly added to a stirred solution of 2-(trifluoromethyl)benzoic acid (50 mg, 0.26 mmol) in dichloromethane (3 mL) followed by dropwise addition of N,N-dimethylformamide (DMF, 4 drops). The resulting reaction mixture was stirred at room temperature for 1 hour. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and 2-(trifluoromethyl)benzoyl chloride (95.6 mg, 100% yield) was obtained quantitatively, which was used directly in the subsequent reaction without purification. | [References]
[1] Patent: US2010/160323, 2010, A1. Location in patent: Page/Page column 28
[2] Journal of the American Chemical Society, 1947, vol. 69, p. 2352
[3] Bulletin de la Societe Chimique de France, 1962, p. 587 - 593
[4] Journal of Medicinal Chemistry, 1982, vol. 25, # 2, p. 145 - 152
[5] Journal of Medicinal Chemistry, 1999, vol. 42, # 6, p. 981 - 991 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|