Cas no 363179-58-2 (Benzene,1-fluoro-3-isothiocyanato-2-methyl-)
Benzene,1-fluoro-3-isothiocyanato-2-methyl- is a fluorinated aromatic compound featuring both isothiocyanate and methyl functional groups. Its unique structure combines the reactivity of the isothiocyanate group, which readily forms thiourea derivatives upon reaction with amines, with the electron-withdrawing effect of the fluorine substituent, enhancing its utility in nucleophilic substitution reactions. The methyl group at the 2-position contributes to steric effects, influencing regioselectivity in synthetic applications. This compound is particularly valuable in organic synthesis, serving as a versatile intermediate for pharmaceuticals, agrochemicals, and materials science. Its stability under controlled conditions and selective reactivity make it suitable for constructing complex molecular architectures with precision.
363179-58-2 structure
Product Name:Benzene,1-fluoro-3-isothiocyanato-2-methyl-
CAS No:363179-58-2
MF:C8H6FNS
MW:167.203343868256
MDL:MFCD03093817
CID:297198
PubChem ID:2759032
Update Time:2025-07-02
Benzene,1-fluoro-3-isothiocyanato-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-fluoro-3-isothiocyanato-2-methyl-
- Benzene, 1-fluoro-3-isothiocyanato-2-methyl- (9CI)
- 1-Fluoro-3-isothiocyanato-2-methylbenzene
- 3-Fluoro-2-methylphenylisothiocyanate
- SCHEMBL2769195
- AKOS010900307
- SY079731
- FS-5464
- 3-Fluoro-2-methylphenyl isothiocyanate
- EN300-6770681
- FT-0691047
- 2-Methyl-3-fluorophenyl Isothiocyanate
- 2-methyl-3-fluorophenylisothiocyanate
- DTXSID00374612
- MFCD03093817
- YZQYVLUFNMYFLM-UHFFFAOYSA-N
- 363179-58-2
- DB-273886
- BENZENE, 1-FLUORO-3-ISOTHIOCYANATO-2-METHYL-
-
- MDL： MFCD03093817
- Inchi： 1S/C8H6FNS/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
- InChI Key： YZQYVLUFNMYFLM-UHFFFAOYSA-N
- SMILES： S=C=NC1C=CC=C(C=1C)F
Computed Properties
- Exact Mass: 167.02058
- Monoisotopic Mass: 167.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- 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
- XLogP3: 3.8
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- PSA: 12.36
Benzene,1-fluoro-3-isothiocyanato-2-methyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 009614-1g |
3-Fluoro-2-methylphenylisothiocyanate |
363179-58-2 | 97% | 1g |
￡45.00 | 2022-03-01 | |
| Fluorochem | 009614-25g |
3-Fluoro-2-methylphenylisothiocyanate |
363179-58-2 | 97% | 25g |
￡746.00 | 2022-03-01 | |
| Fluorochem | 009614-100g |
3-Fluoro-2-methylphenylisothiocyanate |
363179-58-2 | 97% | 100g |
￡1871.00 | 2022-03-01 | |
| Oakwood | 009614-1g |
3-Fluoro-2-methylphenyl isothiocyanate |
363179-58-2 | 97% | 1g |
$82.00 | 2024-07-19 | |
| Oakwood | 009614-5g |
3-Fluoro-2-methylphenyl isothiocyanate |
363179-58-2 | 97% | 5g |
$246.00 | 2024-07-19 | |
| Oakwood | 009614-25g |
3-Fluoro-2-methylphenyl isothiocyanate |
363179-58-2 | 97% | 25g |
$795.00 | 2024-07-19 | |
| Oakwood | 009614-100g |
3-Fluoro-2-methylphenyl isothiocyanate |
363179-58-2 | 97% | 100g |
$1995.00 | 2024-07-19 | |
| eNovation Chemicals LLC | Y1247150-1g |
Benzene,1-fluoro-3-isothiocyanato-2-methyl- |
363179-58-2 | 97% | 1g |
$305 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1247150-5g |
Benzene,1-fluoro-3-isothiocyanato-2-methyl- |
363179-58-2 | 97% | 5g |
$555 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1247150-25g |
Benzene,1-fluoro-3-isothiocyanato-2-methyl- |
363179-58-2 | 97% | 25g |
$1440 | 2024-06-07 |
Benzene,1-fluoro-3-isothiocyanato-2-methyl- Related Literature
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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