Cas no 1446478-98-3 (1-chloro-3-fluoro-5-isocyanatobenzene)
1-Chloro-3-fluoro-5-isocyanatobenzene is a versatile aromatic isocyanate compound featuring both chloro and fluoro substituents on the benzene ring. Its reactive isocyanate group enables its use as a key intermediate in the synthesis of ureas, carbamates, and other derivatives, particularly in pharmaceutical and agrochemical applications. The presence of halogen atoms enhances its reactivity and provides opportunities for further functionalization. This compound is valued for its stability under controlled conditions and its ability to participate in selective coupling reactions. Suitable for use in controlled environments, it requires careful handling due to the isocyanate group's sensitivity to moisture and potential irritancy.
1446478-98-3 structure
Product Name:1-chloro-3-fluoro-5-isocyanatobenzene
CAS No:1446478-98-3
MF:C7H3ClFNO
MW:171.556224107742
CID:5180296
PubChem ID:19612367
Update Time:2025-05-28
1-chloro-3-fluoro-5-isocyanatobenzene Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-3-fluoro-5-isocyanato-
- 1-chloro-3-fluoro-5-isocyanatobenzene
-
- Inchi: 1S/C7H3ClFNO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
- InChI Key: WFBXSNNMRKLWAV-UHFFFAOYSA-N
- SMILES: C1(Cl)=CC(N=C=O)=CC(F)=C1
Computed Properties
- Exact Mass: 170.9887196g/mol
- Monoisotopic Mass: 170.9887196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 181
- 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: 3.5
- Topological Polar Surface Area: 29.4?2
1-chloro-3-fluoro-5-isocyanatobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-105007-0.05g |
1-chloro-3-fluoro-5-isocyanatobenzene |
1446478-98-3 | 95% | 0.05g |
$174.0 | 2023-10-28 | |
| Enamine | EN300-105007-0.1g |
1-chloro-3-fluoro-5-isocyanatobenzene |
1446478-98-3 | 95% | 0.1g |
$257.0 | 2023-10-28 | |
| Enamine | EN300-105007-0.25g |
1-chloro-3-fluoro-5-isocyanatobenzene |
1446478-98-3 | 95% | 0.25g |
$367.0 | 2023-10-28 | |
| Enamine | EN300-105007-0.5g |
1-chloro-3-fluoro-5-isocyanatobenzene |
1446478-98-3 | 95% | 0.5g |
$579.0 | 2023-10-28 | |
| Enamine | EN300-105007-1.0g |
1-chloro-3-fluoro-5-isocyanatobenzene |
1446478-98-3 | 95% | 1g |
$743.0 | 2023-06-10 | |
| Enamine | EN300-105007-2.5g |
1-chloro-3-fluoro-5-isocyanatobenzene |
1446478-98-3 | 95% | 2.5g |
$1454.0 | 2023-10-28 | |
| Enamine | EN300-105007-5.0g |
1-chloro-3-fluoro-5-isocyanatobenzene |
1446478-98-3 | 95% | 5g |
$2152.0 | 2023-06-10 | |
| Enamine | EN300-105007-10.0g |
1-chloro-3-fluoro-5-isocyanatobenzene |
1446478-98-3 | 95% | 10g |
$3191.0 | 2023-06-10 | |
| 1PlusChem | 1P028T46-50mg |
1-chloro-3-fluoro-5-isocyanatobenzene |
1446478-98-3 | 95% | 50mg |
$269.00 | 2024-06-20 | |
| 1PlusChem | 1P028T46-100mg |
1-chloro-3-fluoro-5-isocyanatobenzene |
1446478-98-3 | 95% | 100mg |
$369.00 | 2024-06-20 |
1-chloro-3-fluoro-5-isocyanatobenzene Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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