2-Chloro-1-iodo-4-(trifluoromethoxy)benzene - CAS 345226-19-9
Catalog: |
BB022165 |
Product Name: |
2-Chloro-1-iodo-4-(trifluoromethoxy)benzene |
CAS: |
345226-19-9 |
Synonyms: |
2-chloro-1-iodo-4-(trifluoromethoxy)benzene; 2-chloro-1-iodo-4-(trifluoromethoxy)benzene |
IUPAC Name: | 2-chloro-1-iodo-4-(trifluoromethoxy)benzene |
Description: | 2-Chloro-4-(trifluoromethoxy)iodobenzene, can be used in the synthesis of various chemical compounds, such as aza- and diazabiphenyl analogues having antitubercular activity. |
Molecular Weight: | 322.45 |
Molecular Formula: | C7H3ClF3IO |
Canonical SMILES: | C1=CC(=C(C=C1OC(F)(F)F)Cl)I |
InChI: | InChI=1S/C7H3ClF3IO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H |
InChI Key: | NFAJTTNPYSKSCV-UHFFFAOYSA-N |
LogP: | 3.84320 |
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 |
WO-2021047622-A1 | Pyridine oxynitride, preparation method therefor and use thereof | 20190912 |
WO-2020083855-A1 | Novel tricyclic compounds for the treatment and prophylaxis of hepatitis b virus disease | 20181024 |
CN-112888480-A | Novel tricyclic compounds for the treatment and prevention of hepatitis b virus diseases | 20181024 |
EP-3870295-A1 | Novel tricyclic compounds for the treatment and prophylaxis of hepatitis b virus disease | 20181024 |
CN-110117284-A | Nitrogen-containing hetero cyclics and its preparation method and application | 20180206 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.88692 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.88692 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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