Cas no 39893-50-0 (2-chloro-4-isocyanato-1-(trifluoromethyl)benzene)
39893-50-0 structure
Product Name:2-chloro-4-isocyanato-1-(trifluoromethyl)benzene
CAS No:39893-50-0
MF:C8H3ClF3NO
MW:221.563731431961
MDL:MFCD27950361
CID:1514859
PubChem ID:14368497
Update Time:2025-04-21
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-chloro-4-isocyanato-1-(trifluoromethyl)-
- 2-chloro-4-isocyanato-1-(trifluoromethyl)benzene
- SCHEMBL856525
- 39893-50-0
- 3-chloro-4-trifluoromethyl-phenyl isocyanate
- DB-192647
- EN300-1933844
- 2-chloro-4-isocyanato-1-trifluoromethyl-benzene
-
- MDL： MFCD27950361
- Inchi： 1S/C8H3ClF3NO/c9-7-3-5(13-4-14)1-2-6(7)8(10,11)12/h1-3H
- InChI Key： HCWZJEXQULSHSD-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C(F)(F)F)N=C=O
Computed Properties
- Exact Mass: 220.98559
- Monoisotopic Mass: 220.9855259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- 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
Experimental Properties
- PSA: 29.43
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1933844-0.05g |
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene |
39893-50-0 | 95% | 0.05g |
$235.0 | 2023-09-17 | |
| Enamine | EN300-1933844-0.1g |
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene |
39893-50-0 | 95% | 0.1g |
$352.0 | 2023-09-17 | |
| Enamine | EN300-1933844-0.25g |
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene |
39893-50-0 | 95% | 0.25g |
$503.0 | 2023-09-17 | |
| Enamine | EN300-1933844-0.5g |
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene |
39893-50-0 | 95% | 0.5g |
$791.0 | 2023-09-17 | |
| Enamine | EN300-1933844-1.0g |
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene |
39893-50-0 | 95% | 1g |
$1014.0 | 2023-05-31 | |
| Enamine | EN300-1933844-2.5g |
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene |
39893-50-0 | 95% | 2.5g |
$1988.0 | 2023-09-17 | |
| Enamine | EN300-1933844-5.0g |
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene |
39893-50-0 | 95% | 5g |
$2940.0 | 2023-05-31 | |
| Enamine | EN300-1933844-10.0g |
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene |
39893-50-0 | 95% | 10g |
$4360.0 | 2023-05-31 | |
| Enamine | EN300-1933844-1g |
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene |
39893-50-0 | 95% | 1g |
$1014.0 | 2023-09-17 | |
| Enamine | EN300-1933844-5g |
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene |
39893-50-0 | 95% | 5g |
$2940.0 | 2023-09-17 |
2-chloro-4-isocyanato-1-(trifluoromethyl)benzene Related Literature
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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