Cas no 71682-94-5 (3-Oxo-3-4-(trifluoromethyl)phenylpropanenitrile)
71682-94-5 structure
Product Name:3-Oxo-3-4-(trifluoromethyl)phenylpropanenitrile
CAS No:71682-94-5
MF:C10H6F3NO
MW:213.15595293045
MDL:MFCD02260793
CID:548389
PubChem ID:10560526
Update Time:2025-08-05
3-Oxo-3-4-(trifluoromethyl)phenylpropanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Oxo-3-(4-(trifluoromethyl)phenyl)propanenitrile
- 3-OXO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE
- 4-(Trifluoromethyl)benzoylacetonitrile
- Benzenepropanenitrile, b-oxo-4-(trifluoromethyl)-
- 3-oxo-3-<4-trifluoromethylphenyl>propanenitrile
- 4-trifluoromethylbenzoylacetonitrile
- 3-Oxo-3-[4-trifluoromethylphenyl]propanenitrile
- 3-(4-(Trifluoromethyl)phenyl)-3-oxopropanenitrile
- PubChem12075
- FSYIJSKUDBUEQZ-UHFFFAOYSA-N
- PC9059
- SBB094750
- KM1422
- FCH028097
- 1128AC
- RP12371
- TRA0
- 3-Oxo-3-(4-trifluoromethyl-phenyl)-propionitrile
- MFCD02260793
- SCHEMBL133449
- SY016094
- A9374
- SB38429
- 71682-94-5
- Z317042118
- J-513001
- DA-0831
- AMY330
- Benzenepropanenitrile,b-oxo-4-(trifluoromethyl)-
- EN300-69181
- AKOS000170895
- CS-0311621
- FT-0604221
- DTXSID70441744
- 3-Oxo-3-4-(trifluoromethyl)phenylpropanenitrile
-
- MDL： MFCD02260793
- Inchi： 1S/C10H6F3NO/c11-10(12,13)8-3-1-7(2-4-8)9(15)5-6-14/h1-4H,5H2
- InChI Key： FSYIJSKUDBUEQZ-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(C(CC#N)=O)=CC=1)(F)F
Computed Properties
- Exact Mass: 213.04000
- Monoisotopic Mass: 213.04014830g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 281
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 40.9
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.296±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 44-45 oC
- Boiling Point: 316.192°C at 760 mmHg
- Flash Point: 145.028℃
- Refractive Index: 1.469
- Solubility: Very slightly soluble (0.34 g/l) (25 o C),
- PSA: 40.86000
- LogP: 2.80178
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
3-Oxo-3-4-(trifluoromethyl)phenylpropanenitrile Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazard Category Code： 43
- Safety Instruction： 36/37
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-Oxo-3-4-(trifluoromethyl)phenylpropanenitrile Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-Oxo-3-4-(trifluoromethyl)phenylpropanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019115738-5g |
3-Oxo-3-(4-(trifluoromethyl)phenyl)propanenitrile |
71682-94-5 | 97% | 5g |
$359.00 | 2023-09-01 | |
| Alichem | A019115738-10g |
3-Oxo-3-(4-(trifluoromethyl)phenyl)propanenitrile |
71682-94-5 | 97% | 10g |
$543.38 | 2023-09-01 | |
| Alichem | A019115738-25g |
3-Oxo-3-(4-(trifluoromethyl)phenyl)propanenitrile |
71682-94-5 | 97% | 25g |
$1037.74 | 2023-09-01 | |
| Fluorochem | 206983-5g |
4-Trifluoromethylbenzoylacetonitrile |
71682-94-5 | 95% | 5g |
￡304.00 | 2022-03-01 | |
| Fluorochem | 206983-10g |
4-Trifluoromethylbenzoylacetonitrile |
71682-94-5 | 95% | 10g |
￡493.00 | 2022-03-01 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T94440-250mg |
3-Oxo-3-(4-(trifluoromethyl)phenyl)propanenitrile |
71682-94-5 | 97% | 250mg |
￥589.0 | 2023-09-06 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D851618-5g |
4-(Trifluoromethyl)benzoylacetonitrile |
71682-94-5 | ≥97% | 5g |
4,014.00 | 2021-05-17 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 10R0402-1g |
3-Oxo-3-(4-trifluoromethyl-phenyl)-propionitrile |
71682-94-5 | 96% | 1g |
508.83CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 10R0402-5g |
3-Oxo-3-(4-trifluoromethyl-phenyl)-propionitrile |
71682-94-5 | 96% | 5g |
2035.3CNY | 2021-05-08 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 10R0402-25g |
3-Oxo-3-(4-trifluoromethyl-phenyl)-propionitrile |
71682-94-5 | 96% | 25g |
7123.56CNY | 2021-05-08 |
3-Oxo-3-4-(trifluoromethyl)phenylpropanenitrile Related Literature
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
71682-94-5 (3-Oxo-3-4-(trifluoromethyl)phenylpropanenitrile) Related Products
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- 40018-10-8(3-Oxo-3-2-(trifluoromethyl)phenylpropanenitrile)
- 312308-30-8(2-(2-oxo-2-(4-(trifluoromethyl)phenyl)ethyl)malononitrile)
- 85068-34-4(3',5'-Bis(trifluoromethyl)propiophenone)
- 1533-03-5(3'-(Trifluoromethyl)propiophenone)
- 61062-55-3(2-Phenyl-4’-trifluoromethylacetophenone)
- 146653-56-7(2-(4-Cyanophenyl)-3'-trifluoromethylacetophenone)
- 267880-84-2(Benzenepropanenitrile,3-methyl-b-oxo-5-(trifluoromethyl)-)
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