4-Fluorophenylisocyanate
4-Fluorophenylisocyanate structure
|
Common Name | 4-Fluorophenylisocyanate | ||
|---|---|---|---|---|
| CAS Number | 404-71-7 | Molecular Weight | 137.111 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 166.9±23.0 °C at 760 mmHg | |
| Molecular Formula | C7H4FNO | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 52.8±0.0 °C | |
| Symbol |
GHS02, GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Fluorophenyl isocyanate |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 166.9±23.0 °C at 760 mmHg |
| Molecular Formula | C7H4FNO |
| Molecular Weight | 137.111 |
| Flash Point | 52.8±0.0 °C |
| Exact Mass | 137.027695 |
| PSA | 29.43000 |
| LogP | 2.88 |
| Vapour Pressure | 1.7±0.3 mmHg at 25°C |
| Index of Refraction | 1.505 |
| InChIKey | RIKWVZGZRYDACA-UHFFFAOYSA-N |
| SMILES | O=C=Nc1cccc(F)c1 |
| Storage condition | 0-6°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 |
GHS02, GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226-H302 + H312 + H332-H315-H319-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 | T:Toxic; |
| Risk Phrases | R10;R23/24/25;R36/37/38;R42 |
| Safety Phrases | S26-S27-S36/37/39-S45 |
| RIDADR | UN 3080 6.1/PG 2 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 3 |
| HS Code | 2929109000 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 4 | |
CAS#:372-19-0
CAS#:32315-10-9
CAS#:625-98-9
CAS#:917-61-3
CAS#:503-38-8
CAS#:75-44-5
CAS#:330-39-2![(S)-N-[[3-(3-Fluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide structure](https://image.chemsrc.com/caspic/110/139071-79-7.png)
CAS#:139071-79-7
CAS#:149524-42-5![1-(3-fluorophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea structure](https://image.chemsrc.com/caspic/487/61516-53-8.png)
CAS#:61516-53-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2929109000 |
|---|---|
| Summary | 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . 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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Synthesis of new substituted 6-ureidopurines and 6-ureido-9-(2, 3, 5-triacetylribofuranosyl) purines having cytokinin (plant growth promoting) activity. Mhatre V and Joshi V.
Indian J. Chem. B 41(12) , 2667-75, (2002)
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New synthetic method of linezolid. Yu D-S, et al.
Chin. J. Med. Chem. 2 , 2, (2005)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Fluorophenyl Isocyanate |
| EINECS 206-966-1 |
| p-Fluorophenyl isocyanate |
| 1-fluoro-3-isocyanatobenzene |
| MFCD00002015 |
| 4-Fluorophenylisocyanate |
| Isocyanic Acid 3-Fluorophenyl Ester |
| 1-Fluoro-4-isocyanatobenzene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 3-Fluorophenyl isocyanate? |
| A: Molecular formula of 3-Fluorophenyl isocyanate is C7H4FNO. |
| Q: What is the SMILES notation of 3-Fluorophenyl isocyanate? |
| A: SMILES notation of 3-Fluorophenyl isocyanate is O=C=Nc1cccc(F)c1. |
| Q: What is the molecular weight of 3-Fluorophenyl isocyanate? |
| A: Molecular weight of 3-Fluorophenyl isocyanate is 137.111. |
| Q: What are the upstream materials of 3-Fluorophenyl isocyanate? |
| A: Related upstream materials(CAS) of 3-Fluorophenyl isocyanate: 372-19-0;32315-10-9;625-98-9;917-61-3;503-38-8;75-44-5. |
| Q: What is the boiling point of 3-Fluorophenyl isocyanate? |
| A: Boiling point of 3-Fluorophenyl isocyanate is 166.9±23.0 °C at 760 mmHg. |
| Q: What is the English name of 3-Fluorophenyl isocyanate? |
| A: The English name of 3-Fluorophenyl isocyanate is 3-Fluorophenyl isocyanate. |
| Q: What are the storage conditions for 3-Fluorophenyl isocyanate? |
| A: Storage conditions for 3-Fluorophenyl isocyanate: 0-6°C. |
| Q: What are the downstream products of 3-Fluorophenyl isocyanate? |
| A: Related downstream products(CAS) of 3-Fluorophenyl isocyanate: 330-39-2;139071-79-7;149524-42-5;61516-53-8. |
| Q: What is the polar surface area (PSA) of 3-Fluorophenyl isocyanate? |
| A: Polar surface area (PSA) of 3-Fluorophenyl isocyanate is 29.43000. |
| Q: What is the CAS number of 3-Fluorophenyl isocyanate? |
| A: CAS number of 3-Fluorophenyl isocyanate is 404-71-7. |
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. |