1,1,1-Trifluoro-4-iodobutane - CAS 461-17-6
Catalog: |
BB026073 |
Product Name: |
1,1,1-Trifluoro-4-iodobutane |
CAS: |
461-17-6 |
Synonyms: |
1,1,1-trifluoro-4-iodobutane; 1,1,1-trifluoro-4-iodobutane |
IUPAC Name: | 1,1,1-trifluoro-4-iodobutane |
Description: | 1,1,1-Trifluoro-4-Iodobutane can be used to prepare small molecule inhibitors of SLC15A4 possessing anti-inflammatory activity. |
Molecular Weight: | 237.99 |
Molecular Formula: | C4H6F3I |
Canonical SMILES: | C(CC(F)(F)F)CI |
InChI: | InChI=1S/C4H6F3I/c5-4(6,7)2-1-3-8/h1-3H2 |
InChI Key: | LNDGACQEAYKNOI-UHFFFAOYSA-N |
Boiling Point: | 126 °C |
Density: | 1.18 g/cm3 |
LogP: | 2.76390 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020079269-A | Plant disease control method | 20200131 |
WO-2021130492-A1 | Carboxy derivatives with antiinflammatory properties | 20191223 |
CN-112979642-A | Organic compound and electrochromic element | 20191218 |
EP-3839007-A1 | Organic compound and electrochromic element | 20191218 |
JP-2021095385-A | Organic compounds and electrochromic devices | 20191218 |
Complexity: | 58.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.94663 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.94663 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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