2-Iodo-4-methylaniline - CAS 29289-13-2
Catalog: |
BB020166 |
Product Name: |
2-Iodo-4-methylaniline |
CAS: |
29289-13-2 |
Synonyms: |
2-iodo-4-methylaniline; 2-iodo-4-methylaniline |
IUPAC Name: | 2-iodo-4-methylaniline |
Description: | 2-Iodo-4-methylaniline (CAS# 29289-13-2) is a useful research chemical. |
Molecular Weight: | 233.05 |
Molecular Formula: | C7H8IN |
Canonical SMILES: | CC1=CC(=C(C=C1)N)I |
InChI: | InChI=1S/C7H8IN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3 |
InChI Key: | AJTUKWIQLKKRHE-UHFFFAOYSA-N |
Boiling Point: | 289.4 °C at 760 mmHg |
Density: | 1.791 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03407391 |
LogP: | 2.76300 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111892553-A | Method for synthesizing ammonium acetate mediated benzothiazole compound | 20200805 |
CN-110804008-A | 1, 3-disubstituted indoline derivative and preparation method thereof | 20191127 |
WO-2020101314-A1 | Heterocyclic compound and organic light emitting diode comprising same | 20181112 |
WO-2020101316-A1 | Heterocyclic compound and organic light emitting device comprising same | 20181112 |
US-2021147398-A1 | Novel lxr modulators with bicyclic core moiety | 20180628 |
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 |
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Amines and Anilines
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