Cas no 190774-50-6 (2-Fluoro-5-methylphenyl isocyanate)
2-Fluoro-5-methylphenyl isocyanate Chemical and Physical Properties
Names and Identifiers
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- 1-fluoro-2-isocyanato-4-methylbenzene
- 2-fluoro-5-methylphenyl isocyanate
- 2-fluoro-5-methylbenzenisocyanate
- 2-Fluoro-5-methyl isocyanate
- Benzene, 1-fluoro-2-isocyanato-4-Methyl-
- Benzene, 1-fluoro-2-isocyanato-4-methyl- (9CI)
- 2-Fluoro-5-methylphenyl isocyanate,99%
- 2-FLUORO-5-METHYLPHENYL ISOCYANATE 99%
- 2-Fluoro-5-methylphenyl isocyanate ,98%
- 2-Fluoro-5-methylphenyl isocyanate, GC 99%
- DTXSID90369875
- FT-0612364
- J-640254
- 2-Fluoro-5-methylphenyl isocyanate, 98%
- PS-10285
- EN300-146892
- 1-FLUORO-2-ISOCYANATO-4-METHYL-BENZENE
- 1-isocyanato-2-fluoro-5-methyl benzene
- A4206
- SCHEMBL58424
- 2-Fluoro-5-MethylphenylIsocyanate
- 190774-50-6
- GLSUJZPVKMKUPJ-UHFFFAOYSA-N
- 2-fluoro-5-methyl-phenylisocyanate
- GEO-01411
- AKOS009158726
- AM62612
- MFCD00673050
- DB-012005
- 2-Fluoro-5-methylphenyl isocyanate
-
- MDL: MFCD00673050
- Inchi: 1S/C8H6FNO/c1-6-2-3-7(9)8(4-6)10-5-11/h2-4H,1H3
- InChI Key: GLSUJZPVKMKUPJ-UHFFFAOYSA-N
- SMILES: FC1C=CC(C)=CC=1N=C=O
Computed Properties
- Exact Mass: 151.04300
- Monoisotopic Mass: 151.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 177
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.2
- Topological Polar Surface Area: 29.4A^2
Experimental Properties
- Color/Form: colorless liquid
- Density: 1.159?g/mL?at 25?°C(lit.)
- Boiling Point: 192?°C(lit.)
- Flash Point: Degrees Fahrenheit:185°F
Degrees Celsius:85°C - Refractive Index: n20/D 1.511(lit.)
- PSA: 29.43000
- LogP: 2.10140
- Solubility: Not available
- Sensitiveness: Moisture Sensitive/Lachrymatory
- Vapor Pressure: 0.2±0.4 mmHg at 25°C
2-Fluoro-5-methylphenyl isocyanate Security Information
-
Symbol:
- Signal Word:Warning
- Hazard Statement: H302-H312-H315-H319-H332-H335
- Warning Statement: P261-P280-P305+P351+P338
- Hazardous Material transportation number:UN 2206
- WGK Germany:3
- Hazard Category Code: 20/21/22-36/37/38
- Safety Instruction: S26
-
Hazardous Material Identification:
- Safety Term:S26-36-37/39
- Storage Condition:?20°C
- Risk Phrases:R20/21/22
2-Fluoro-5-methylphenyl isocyanate Customs Data
- HS CODE:2929109000
- Customs Data:
China Customs Code:
2929109000Overview:
2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2-Fluoro-5-methylphenyl isocyanate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A206351-250mg |
2-Fluoro-5-methylphenylisocyanate |
190774-50-6 | 95% | 250mg |
$10.0 | 2025-02-21 | |
| Ambeed | A206351-1g |
2-Fluoro-5-methylphenylisocyanate |
190774-50-6 | 95% | 1g |
$29.0 | 2025-02-21 | |
| Ambeed | A206351-5g |
2-Fluoro-5-methylphenylisocyanate |
190774-50-6 | 95% | 5g |
$121.0 | 2025-02-21 | |
| Ambeed | A206351-10g |
2-Fluoro-5-methylphenylisocyanate |
190774-50-6 | 95% | 10g |
$203.0 | 2025-02-21 | |
| Ambeed | A206351-25g |
2-Fluoro-5-methylphenylisocyanate |
190774-50-6 | 95% | 25g |
$489.0 | 2025-02-21 | |
| TRC | F597160-100mg |
2-Fluoro-5-methylphenyl isocyanate |
190774-50-6 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | F597160-250mg |
2-Fluoro-5-methylphenyl isocyanate |
190774-50-6 | 250mg |
$75.00 | 2023-05-18 | ||
| TRC | F597160-500mg |
2-Fluoro-5-methylphenyl isocyanate |
190774-50-6 | 500mg |
$87.00 | 2023-05-18 | ||
| TRC | F597160-1g |
2-Fluoro-5-methylphenyl isocyanate |
190774-50-6 | 1g |
$ 80.00 | 2022-06-04 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GD315-5g |
2-Fluoro-5-methylphenyl isocyanate |
190774-50-6 | 95+% | 5g |
3582.0CNY | 2021-07-15 |
2-Fluoro-5-methylphenyl isocyanate Suppliers
2-Fluoro-5-methylphenyl isocyanate Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
Additional information on 2-Fluoro-5-methylphenyl isocyanate
Introduction to 2-Fluoro-5-methylphenyl isocyanate (CAS No. 190774-50-6)
2-Fluoro-5-methylphenyl isocyanate (CAS No. 190774-50-6) is a versatile organic compound that has garnered significant attention in the fields of chemistry, pharmaceuticals, and materials science. This compound is characterized by its unique molecular structure, which includes a fluoro and a methyl substituent on a phenyl ring, along with an isocyanate functional group. The combination of these substituents imparts distinct chemical and physical properties that make it a valuable intermediate in various synthetic processes.
The isocyanate functional group in 2-Fluoro-5-methylphenyl isocyanate is particularly noteworthy due to its reactivity and ability to form urethane linkages. This property makes the compound an essential building block in the synthesis of polyurethanes, which are widely used in coatings, adhesives, and elastomers. Additionally, the presence of the fluoro and methyl groups enhances the compound's stability and solubility, making it suitable for a broad range of applications.
In the pharmaceutical industry, 2-Fluoro-5-methylphenyl isocyanate has been explored for its potential in drug discovery and development. Recent studies have highlighted its role as a key intermediate in the synthesis of novel compounds with therapeutic properties. For instance, researchers have utilized this compound to develop drugs targeting specific enzymes and receptors involved in various diseases, including cancer and neurodegenerative disorders.
The fluorine atom in 2-Fluoro-5-methylphenyl isocyanate plays a crucial role in modulating the biological activity of the final drug molecules. Fluorine substitution can enhance the lipophilicity, metabolic stability, and binding affinity of drug candidates, thereby improving their pharmacological profiles. This makes 2-Fluoro-5-methylphenyl isocyanate an attractive starting material for medicinal chemists aiming to optimize lead compounds.
In materials science, the unique properties of 2-Fluoro-5-methylphenyl isocyanate have led to its use in the development of advanced materials with enhanced performance characteristics. For example, polyurethanes derived from this compound exhibit improved mechanical strength, thermal stability, and chemical resistance. These properties make them suitable for applications in automotive, aerospace, and electronics industries.
The synthesis of 2-Fluoro-5-methylphenyl isocyanate typically involves several steps, including the preparation of the corresponding amine or alcohol precursor followed by reaction with phosgene or another suitable reagent to form the isocyanate. Recent advancements in green chemistry have led to the development of more environmentally friendly methods for synthesizing this compound, reducing the use of hazardous reagents and minimizing waste generation.
Safety considerations are paramount when handling 2-Fluoro-5-methylphenyl isocyanate. The compound should be stored under appropriate conditions to prevent degradation and ensure stability. Personal protective equipment (PPE) such as gloves, goggles, and respiratory protection should be used to minimize exposure risks. Additionally, proper disposal methods should be followed to prevent environmental contamination.
In conclusion, 2-Fluoro-5-methylphenyl isocyanate (CAS No. 190774-50-6) is a multifaceted compound with significant applications in chemistry, pharmaceuticals, and materials science. Its unique molecular structure and reactivity make it an indispensable intermediate in various synthetic processes. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in these fields.
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