3-Fluorobenzonitrile
3-Fluorobenzonitrile structure
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Common Name | 3-Fluorobenzonitrile | ||
|---|---|---|---|---|
| CAS Number | 403-54-3 | Molecular Weight | 121.112 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 179.1±13.0 °C at 760 mmHg | |
| Molecular Formula | C7H4FN | Melting Point | −16 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 67.8±0.0 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Fluorobenzonitrile |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 179.1±13.0 °C at 760 mmHg |
| Melting Point | −16 °C(lit.) |
| Molecular Formula | C7H4FN |
| Molecular Weight | 121.112 |
| Flash Point | 67.8±0.0 °C |
| Exact Mass | 121.032776 |
| PSA | 23.79000 |
| LogP | 1.47 |
| Vapour Pressure | 1.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.511 |
| InChIKey | JZTPKAROPNTQQV-UHFFFAOYSA-N |
| SMILES | N#Cc1cccc(F)c1 |
| Storage condition | 2~8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H315-H318-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26-S39-S36/37/39 |
| RIDADR | UN 3276 6.1/PG 3 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:456-48-4
CAS#:458-02-6
CAS#:619-24-9
CAS#:150255-96-2
CAS#:6952-59-6
CAS#:766-84-7
CAS#:126747-14-6
CAS#:100-47-0
CAS#:1121-86-4
CAS#:77287-34-4
CAS#:455-67-4
CAS#:57381-39-2
CAS#:455-37-8
CAS#:50907-20-5![METHYL6-CYANOBENZO[B]THIOPHENE-2-CARBOXYLATE structure](https://image.chemsrc.com/caspic/449/146137-95-3.png)
CAS#:146137-95-3
CAS#:14378-89-3
CAS#:50594-78-0
CAS#:425379-16-4
CAS#:204078-31-9
CAS#:2129-30-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Microwave spectral study of 3-fluorobenzonitrile. Dutta A, et al.
J. Mol. Spectrosc. 118(1) , 232-6, (1986)
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Improved yields of meta-amination and symmetrical and unsymmetrical diamination of benzenes. Brown GR, et al.
Tetrahedron Lett. 42(23) , 3917-19, (2001)
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Synthesis of bis (ether nitrile) s and bis (ether acid) s from simplearomatic diols bymeta-fluoro displacement from3-fluorobenzonitrile. Eastmond GC and Paprotny J.
J. Mater. Chem. 7(8) , 1321-26, (1997)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| m-Fluorobenzonitrile |
| 3-fluorobenzenecarbonitrile |
| 5-fluorobenzonitrile |
| m-fluorobenzene nitrile |
| m-Cyanofluorobenzene |
| Benzonitrile,3-fluoro |
| meta-fluorocyanobenzene |
| EINECS 206-963-5 |
| Benzonitrile,m-fluoro |
| ncr cf |
| 3-Fluorobenzonitrile |
| MFCD00001797 |
| 1-CYANO-3-FLUOROBENZENE |
| 3-CYANOFLUOROBENZENE |
| Letrozole Impurity 8 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 3-Fluorobenzonitrile? |
| A: CAS number of 3-Fluorobenzonitrile is 403-54-3. |
| Q: What is the safety information for 3-Fluorobenzonitrile? |
| A: Safety information for 3-Fluorobenzonitrile: S26-S39-S36/37/39. |
| Q: What are the downstream products of 3-Fluorobenzonitrile? |
| A: Related downstream products(CAS) of 3-Fluorobenzonitrile: 455-67-4;57381-39-2;455-37-8;50907-20-5;146137-95-3;14378-89-3;50594-78-0;425379-16-4;204078-31-9;2129-30-8. |
| Q: What is the polar surface area (PSA) of 3-Fluorobenzonitrile? |
| A: Polar surface area (PSA) of 3-Fluorobenzonitrile is 23.79000. |
| Q: What is the molecular weight of 3-Fluorobenzonitrile? |
| A: Molecular weight of 3-Fluorobenzonitrile is 121.112. |
| Q: What is the molecular formula of 3-Fluorobenzonitrile? |
| A: Molecular formula of 3-Fluorobenzonitrile is C7H4FN. |
| Q: What English synonyms does 3-Fluorobenzonitrile have? |
| A: English synonyms of 3-Fluorobenzonitrile: m-Fluorobenzonitrile, 3-fluorobenzenecarbonitrile, 5-fluorobenzonitrile, m-fluorobenzene nitrile, m-Cyanofluorobenzene, Benzonitrile,3-fluoro, meta-fluorocyanobenzene, EINECS 206-963-5, Benzonitrile,m-fluoro, ncr cf, 3-Fluorobenzonitrile, MFCD00001797, 1-CYANO-3-FLUOROBENZENE, 3-CYANOFLUOROBENZENE, Letrozole Impurity 8. |
| Q: What is the melting point of 3-Fluorobenzonitrile? |
| A: Melting point of 3-Fluorobenzonitrile is −16 °C(lit.). |
| Q: What is the English name of 3-Fluorobenzonitrile? |
| A: The English name of 3-Fluorobenzonitrile is 3-Fluorobenzonitrile. |
| Q: What are the upstream materials of 3-Fluorobenzonitrile? |
| A: Related upstream materials(CAS) of 3-Fluorobenzonitrile: 456-48-4;458-02-6;619-24-9;150255-96-2;6952-59-6;766-84-7;126747-14-6;100-47-0;1121-86-4;77287-34-4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |