Cas no 88330-63-6 (Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)-)
Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)-, is a specialized aromatic compound featuring both isocyanate and chloro-substituted trifluoromethyl functional groups. Its reactive isocyanate moiety makes it a valuable intermediate in organic synthesis, particularly for forming ureas, carbamates, and other nitrogen-containing derivatives. The presence of the electron-withdrawing trifluoromethyl group enhances its utility in pharmaceuticals and agrochemicals by influencing reactivity and stability. The chloro substituent further allows for selective functionalization via cross-coupling or nucleophilic substitution. This compound is particularly suited for applications requiring precise structural modifications under controlled conditions, offering versatility in fine chemical and material science research. Proper handling is essential due to its potential sensitivity to moisture and reactivity.
88330-63-6 structure
Product Name:Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)-
CAS No:88330-63-6
MF:C8H3ClF3NO
MW:221.563731431961
MDL:MFCD28359385
CID:636952
PubChem ID:13144015
Update Time:2025-06-08
Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)-
- 2-Chloro-1-isocyanato-3-(trifluoromethyl)benzene (ACI)
- 2-Chloro-3-(trifluoromethyl)phenyl isocyanate
- DTXSID00521629
- 2-Chloro-1-isocyanato-3-(trifluoromethyl)benzene
- 88330-63-6
- SCHEMBL1513863
- D81025
- AKOS037649405
- DB-192447
- Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)
- UHXHJYYNTMWKMG-UHFFFAOYSA-N
- MFCD28359385
- 8DYV227ZPD
- BS-18207
-
- MDL： MFCD28359385
- Inchi： 1S/C8H3ClF3NO/c9-7-5(8(10,11)12)2-1-3-6(7)13-4-14/h1-3H
- InChI Key： UHXHJYYNTMWKMG-UHFFFAOYSA-N
- SMILES： O=C=NC1C(Cl)=C(C(F)(F)F)C=CC=1
Computed Properties
- Exact Mass: 220.9855259g/mol
- Monoisotopic Mass: 220.9855259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 250
- 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: 4.2
- Topological Polar Surface Area: 29.4?2
Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C922287-100mg |
2-Chloro-1-isocyanato-3-(trifluoromethyl)benzene |
88330-63-6 | 98% | 100mg |
￥1,035.00 | 2022-09-29 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GB638-50mg |
Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)- |
88330-63-6 | 98% | 50mg |
828.0CNY | 2021-07-15 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GB638-1g |
Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)- |
88330-63-6 | 98% | 1g |
6210.0CNY | 2021-07-15 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GB638-200mg |
Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)- |
88330-63-6 | 98% | 200mg |
2070.0CNY | 2021-07-15 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GB638-100mg |
Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)- |
88330-63-6 | 98% | 100mg |
1205CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GB638-250mg |
Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)- |
88330-63-6 | 98% | 250mg |
3308CNY | 2021-05-07 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTS771-100mg |
2-chloro-1-isocyanato-3-(trifluoromethyl)benzene |
88330-63-6 | 95% | 100mg |
￥576.0 | 2024-04-16 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTS771-250mg |
2-chloro-1-isocyanato-3-(trifluoromethyl)benzene |
88330-63-6 | 95% | 250mg |
￥763.0 | 2024-04-16 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTS771-1g |
2-chloro-1-isocyanato-3-(trifluoromethyl)benzene |
88330-63-6 | 95% | 1g |
￥2376.0 | 2024-04-16 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTS771-5g |
2-chloro-1-isocyanato-3-(trifluoromethyl)benzene |
88330-63-6 | 95% | 5g |
￥7330.0 | 2024-04-16 |
Benzene, 2-chloro-1-isocyanato-3-(trifluoromethyl)- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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