4-Iodobenzotrifluoride - CAS 455-13-0
Catalog: |
BB025902 |
Product Name: |
4-Iodobenzotrifluoride |
CAS: |
455-13-0 |
Synonyms: |
1-iodo-4-(trifluoromethyl)benzene |
IUPAC Name: | 1-iodo-4-(trifluoromethyl)benzene |
Description: | 4-Iodobenzotrifluoride (CAS# 455-13-0) is a useful research chemical. |
Molecular Weight: | 272.01 |
Molecular Formula: | C7H4F3I |
Canonical SMILES: | C1=CC(=CC=C1C(F)(F)F)I |
InChI: | InChI=1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H |
InChI Key: | SKGRFPGOGCHDPC-UHFFFAOYSA-N |
Boiling Point: | 185-186 °C (745 mmHg) |
Melting Point: | -8.3 °C |
Purity: | 95 % |
Density: | 1.851 g/cm3 |
Appearance: | Light brown liquid. |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00039398 |
LogP: | 3.31000 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113336786-A | Diastereoselective polysubstituted naphthenic compound and preparation method thereof | 20210531 |
CN-112972478-A | Application of griseofulvin Schmidt rearrangement derivative in preparation of antitumor drugs | 20210207 |
CN-112979665-A | Griseofulvin Schmidt rearrangement derivative and preparation method thereof | 20210207 |
CN-112239482-A | Near-infrared electrochemiluminescence compound, electrochemiluminescence system and application thereof | 20201218 |
CN-112239482-B | Near-infrared electrochemiluminescence compound, electrochemiluminescence system and application thereof | 20201218 |
PMID | Publication Date | Title | Journal |
22448779 | 20120501 | Formation of self-assembled monolayers of π-conjugated molecules on TiO2 surfaces by thermal grafting of aryl and benzyl halides | Langmuir : the ACS journal of surfaces and colloids |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.93098 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.93098 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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