4-Iodoaniline - CAS 540-37-4
Catalog: |
BB028469 |
Product Name: |
4-Iodoaniline |
CAS: |
540-37-4 |
Synonyms: |
4-iodoaniline |
IUPAC Name: | 4-iodoaniline |
Description: | 4-Iodoaniline (CAS# 540-37-4) is a useful research chemical. |
Molecular Weight: | 219.02 |
Molecular Formula: | C6H6IN |
Canonical SMILES: | C1=CC(=CC=C1N)I |
InChI: | InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 |
InChI Key: | VLVCDUSVTXIWGW-UHFFFAOYSA-N |
Boiling Point: | 268.7 °C at 760 mmHg |
Melting Point: | 59-64 °C |
Purity: | 95 % |
Density: | 1.924 g/cm3 |
Appearance: | Beige to greyish-brown crystalline powder |
MDL: | MFCD00007848 |
LogP: | 2.45460 |
Vapor Pressure: | 0.00767 [mmHg] |
GHS Hazard Statement: | H302 (98.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113512056-A | Single molecular weight conjugated fluorene-azobenzene precise sequence oligomer and synthesis method and application thereof | 20210604 |
CN-113248206-A | Cement-based polyurethane composite insulation board and preparation method thereof | 20210531 |
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CN-113121476-A | Preparation process of empagliflozin intermediate | 20210402 |
CN-113061091-A | Preparation method of N-alkylated derivative of primary amine compound | 20210316 |
PMID | Publication Date | Title | Journal |
22881372 | 20120904 | Differentiation of complex lipid isomers by radical-directed dissociation mass spectrometry | Analytical chemistry |
22260510 | 20120411 | In situ synthesis of thermochemically reduced graphene oxide conducting nanocomposites | Nano letters |
21369938 | 20111201 | Consequence of one-electron oxidation and one-electron reduction for aniline | Journal of molecular modeling |
21522355 | 20110212 | 4-Iodo-anilinium perchlorate 18-crown-6 clathrate | Acta crystallographica. Section E, Structure reports online |
21587810 | 20100605 | (E)-2-[(4-Iodo-phen-yl)imino-meth-yl]-6-methyl-phenol | Acta crystallographica. Section E, Structure reports online |
Complexity: | 66.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.95450 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.95450 |
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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