3-Trifluoromethylbenzylcyanide
- Product Name
- 3-Trifluoromethylbenzylcyanide
- CAS No.
- 2338-76-3
- Chemical Name
- 3-Trifluoromethylbenzylcyanide
- Synonyms
- 3-Trifluormethylbenzylcyanide;3-TRIFLUOROMETHYLBENZYLNITRILE;M-TRIFLUOROMETHYLBENZYL CYANIDE;3-(TRIFLUOROMETHYL)BENZYL CYANIDE;Trifluoromethyl benzene acetonitrile;3-(Trifluoromethyl)ohenylacetonitrile;M-(TRIFLUOROMETHYL)PHENYLACETONITRILE;(a,a,a-Trifluoro-m-tolyl)acetonitrile;3-(TRIFLUOROMETHYL)PHENYLACETONITRILE;META-TRIFLUOROMETHYLPHENYLACETONITRILE
- CBNumber
- CB6130989
- Molecular Formula
- C9H6F3N
- Formula Weight
- 185.15
- MOL File
- 2338-76-3.mol
3-Trifluoromethylbenzylcyanide Property
- Boiling point:
- 92-93 °C4 mm Hg(lit.)
- Density
- 1.187 g/mL at 25 °C(lit.)
- refractive index
- n20/D 1.4565(lit.)
- Flash point:
- 120 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.187
- BRN
- 909640
- Exposure limits
- NIOSH: IDLH 25 mg/m3
- InChI
- InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2
- InChIKey
- JOIYKSLWXLFGGR-UHFFFAOYSA-N
- SMILES
- C1(CC#N)=CC=CC(C(F)(F)F)=C1
- CAS DataBase Reference
- 2338-76-3(CAS DataBase Reference)
- NIST Chemistry Reference
- Benzeneacetonitrile, 3-(trifluoromethyl)-(2338-76-3)
- EPA Substance Registry System
- Benzeneacetonitrile, 3-(trifluoromethyl)- (2338-76-3)
Safety
- Hazard Codes
- Xn,Xi
- Risk Statements
- 10-20/21/22-36/37/38
- Safety Statements
- 16-26-27-36/37/39
- RIDADR
- UN 1993 3/PG 3
- WGK Germany
- 3
- RTECS
- CY1820000
- Hazard Note
- Irritant
- TSCA
- T
- HazardClass
- 3
- PackingGroup
- III
- HS Code
- 29269090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H226Flammable liquid and vapour
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 199192
- Product name
- 3-(Trifluoromethyl)phenylacetonitrile
- Purity
- 97%
- Packaging
- 10g
- Price
- $51.9
- Updated
- 2025/07/31
- Product number
- T2367
- Product name
- 3-(Trifluoromethyl)phenylacetonitrile
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $36
- Updated
- 2025/07/31
- Product number
- T2367
- Product name
- 3-(Trifluoromethyl)phenylacetonitrile
- Purity
- >98.0%(GC)
- Packaging
- 25g
- Price
- $109
- Updated
- 2025/07/31
- Product number
- PC7710
- Product name
- 3-(Trifluoromethyl)phenylacetonitrile
- Purity
- 97%
- Packaging
- 5g
- Price
- $10
- Updated
- 2021/12/16
- Product number
- 3837-3-13
- Product name
- 2-[3-(Trifluoromethyl)phenyl]acetonitrile
- Purity
- 97%
- Packaging
- 25g
- Price
- $15
- Updated
- 2021/12/16
3-Trifluoromethylbenzylcyanide Chemical Properties,Usage,Production
Chemical Properties
CLEAR YELLOW-BROWN LIQUID
Uses
3-(Trifluoromethyl)phenylacetonitrile may be used in chemical synthesis studies.
Synthesis
773837-37-9
705-29-3
2338-76-3
The general procedure for the synthesis of m-trifluoromethylphenylacetonitrile from the compound (CAS: 773837-37-9) and 3-trifluoromethylbenzyl chloride was as follows: An aqueous solution of sodium cyanide was prepared by adding 61.7 g of sodium cyanide and 112 g of water to a 250 mL beaker and stirring for 2 h until completely dissolved. Add 235 g of 2,3-trifluoromethylbenzyl chloride and 2.5 g of triethylbenzylammonium chloride to a 500 mL three-necked flask, and heat to 60°C. The temperature is controlled at 55~65°C. The aqueous sodium cyanide solution prepared above was slowly added dropwise under the temperature control of 55~65°C. After the dropwise addition was completed, the reaction temperature was maintained at 60°C for 8 hours. Samples were taken for HPLC analysis during the reaction to ensure that the mass fraction of 3-trifluoromethylbenzyl chloride was less than 0.5%. After completion of the reaction, it was cooled to room temperature and left to stratify. The aqueous layer was washed twice with 50 g of water, all aqueous layers were combined and treated with 5% sodium hypochlorite solution. The oil layer was distilled under reduced pressure and the 94-97 °C fraction was collected at -0.095 MPa to give 204 g of m-trifluoromethylbenzylacetonitrile with a product purity ≥94.0% and a yield of 91%.
References
[1] Patent: CN106349006, 2017, A. Location in patent: Paragraph 0007; 0024; 0037
3-Trifluoromethylbenzylcyanide Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Trifluoromethylbenzylcyanide manufacturers
- Product
- 3-Trifluoromethylbenzylcyanide 2338-76-3
- Price
- US $120.00/kg
- Min. Order
- 1kg
- Purity
- 0.99
- Supply Ability
- 1000000
- Release date
- 2024-08-15
- Product
- 3-Trifluoromethylbenzylcyanide 2338-76-3
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 500000kg
- Release date
- 2024-10-30
- Product
- 3-Trifluoromethylbenzylcyanide 2338-76-3
- Price
- US $0.00-0.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-10-08