3-(Trifluoromethyl)benzonitrile
Modify Date: 2026-07-06 12:08:32
3-(Trifluoromethyl)benzonitrile structure
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Common Name | 3-(Trifluoromethyl)benzonitrile | ||
|---|---|---|---|---|
| CAS Number | 368-77-4 | Molecular Weight | 171.119 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 189.0±35.0 °C at 760 mmHg | |
| Molecular Formula | C8H4F3N | Melting Point | 16-20 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 72.2±0.0 °C | |
| Name | 3-(Trifluoromethyl)benzonitrile |
|---|---|
| Synonym | More Synonyms |
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 189.0±35.0 °C at 760 mmHg |
| Melting Point | 16-20 °C(lit.) |
| Molecular Formula | C8H4F3N |
| Molecular Weight | 171.119 |
| Flash Point | 72.2±0.0 °C |
| Exact Mass | 171.029587 |
| PSA | 23.79000 |
| LogP | 2.56 |
| Vapour Pressure | 0.6±0.4 mmHg at 25°C |
| Index of Refraction | 1.461 |
| InChIKey | OGOBINRVCUWLGN-UHFFFAOYSA-N |
| SMILES | N#Cc1cccc(C(F)(F)F)c1 |
| Storage condition | 2-8°C |
| Personal Protective Equipment | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
|---|---|
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R20/21/22 |
| Safety Phrases | S45 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 29269095 |
| Precursor 9 | |
|---|---|
| DownStream 10 | |
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CAS#:30508-78-2| HS Code | 2926909090 |
|---|---|
| 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% |
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Electron affinity of 1, 3, 5, 7-cyclooctatetraene determined by the kinetic method. Denault JW, et al.
J. Am. Soc. Mass Spectrom. 9(11) , 1141-1145, (1998)
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: Inhibition of bovine aortic smooth muscle PDE5 at 10 uM using cGMP as substrate incub...
Source: ChEMBL
Target: cGMP-specific 3',5'-cyclic phosphodiesterase
External Id: CHEMBL4398700
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: Inhibition of bovine aortic smooth muscle PDE1 at 10 uM using cGMP as substrate incub...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4398701
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Name: Inhibition of human platelets PDE2 at 10 uM using cAMP as substrate incubated for 30 ...
Source: ChEMBL
Target: cGMP-dependent 3',5'-cyclic phosphodiesterase
External Id: CHEMBL4398702
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Name: Inhibition of bovine aortic smooth muscle PDE4 at 10 uM using cAMP as substrate incub...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4398704
|
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Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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Total 9, Current Page 1 of 1
1
| α,α,α-Trifluoro-m-tolunitrile |
| 3-Cyanobenzotrifluoride |
| m-(Trifluoromethyl)benzonitrile |
| α,α,α-Trifluoro-m-toluonitrile |
| alpha,alpha,alpha-Trifluoro-m-tolunitrile |
| a,a,a-trifluoro-m-tolunitrile |
| 3-(Trifluoromethyl)benzonitrile |
| MFCD00001807 |
| meta-trifluoromethylbenzonitrile |
| EINECS 206-711-4 |
| NCR CXFFF |