3-Iodobenzotrifluoride - CAS 401-81-0
Catalog: |
BB024354 |
Product Name: |
3-Iodobenzotrifluoride |
CAS: |
401-81-0 |
Synonyms: |
1-iodo-3-(trifluoromethyl)benzene |
IUPAC Name: | 1-iodo-3-(trifluoromethyl)benzene |
Description: | 3-Iodobenzotrifluoride (CAS# 401-81-0) is a cephalosporin based, potent antibacterial agent. |
Molecular Weight: | 272.01 |
Molecular Formula: | C7H4F3I |
Canonical SMILES: | C1=CC(=CC(=C1)I)C(F)(F)F |
InChI: | InChI=1S/C7H4F3I/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H |
InChI Key: | IGISPMBUGPHLBY-UHFFFAOYSA-N |
Boiling Point: | 182-183 °C |
Density: | 1.887 g/cm3 |
MDL: | MFCD00001049 |
LogP: | 3.31000 |
GHS Hazard Statement: | H314 (91.38%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H319 (10.34%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (12.07%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 132 |
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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