3-Iodo-4-methylaniline - CAS 35944-64-0
Catalog: |
BB022808 |
Product Name: |
3-Iodo-4-methylaniline |
CAS: |
35944-64-0 |
Synonyms: |
3-iodo-4-methylaniline |
IUPAC Name: | 3-iodo-4-methylaniline |
Description: | 3-Iodo-4-methylaniline (CAS# 35944-64-0) is a useful research chemical. |
Molecular Weight: | 233.05 |
Molecular Formula: | C7H8IN |
Canonical SMILES: | CC1=C(C=C(C=C1)N)I |
InChI: | InChI=1S/C7H8IN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3 |
InChI Key: | RRUDMHNAMZFNEK-UHFFFAOYSA-N |
Boiling Point: | 289.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.791 g/cm3 |
MDL: | MFCD00047843 |
LogP: | 2.76300 |
GHS Hazard Statement: | H301 (88.64%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113264945-A | Spiro derivative, preparation method and medical application thereof | 20200217 |
WO-2020247418-A1 | Compounds for the treatment of kinase-dependent disorders | 20190604 |
WO-2020243423-A1 | Tead inhibitors and uses thereof | 20190531 |
CN-111662227-A | O-aminopyridine alkyne compound and preparation method and application thereof | 20190306 |
WO-2020177603-A1 | O-aminopyridylalkyne compound and preparation method therefor and use thereof | 20190306 |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.97015 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.97015 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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