2-Iodo-5-methylthiophene - CAS 16494-36-3
Catalog: |
BB012151 |
Product Name: |
2-Iodo-5-methylthiophene |
CAS: |
16494-36-3 |
Synonyms: |
2-iodo-5-methylthiophene |
IUPAC Name: | 2-iodo-5-methylthiophene |
Description: | 2-Iodo-5-methylthiophene (CAS# 16494-36-3) is a useful research chemical. |
Molecular Weight: | 224.06 |
Molecular Formula: | C5H5IS |
Canonical SMILES: | CC1=CC=C(S1)I |
InChI: | InChI=1S/C5H5IS/c1-4-2-3-5(6)7-4/h2-3H,1H3 |
InChI Key: | NAZNQEXKAPLVKC-UHFFFAOYSA-N |
Boiling Point: | 200.5±20.0 °C / 760 mmHg |
Purity: | 98 % |
Density: | 1.91 g/cm3 |
Storage: | Keep in dark place. Inert atmosphere. Keep cold. |
MDL: | MFCD00022492 |
LogP: | 2.66110 |
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-P305+P351+P338 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-107266414-A | A kind of synthetic method of aminomethyl thiophenes | 20170818 |
CN-106146454-A | The method of polyfluoro biaryl compounds is prepared in Negishi coupling | 20160701 |
CN-106187656-A | The method of magnesium auxiliary nickel catalysis polyfluoro aromatic hydrocarbons list arylation | 20160701 |
AU-2017277732-A1 | New (hetero)aryl-substituted-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 20160610 |
AU-2017277734-A1 | New piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them | 20160610 |
PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 65.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.91567 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.91567 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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Related Functional Groups
Thiophenes
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