3-Iodo-4-methylaniline

• CAS: 35944-64-0
• Catalog Number: ACM35944640
• Category: Amines
• Molecular Weight: 233.05
• Molecular Formula: C₇H₈NI
• Synonyms: 3-Iodo-p-toluidine, p-Toluidine, 3-iodo-, 3-Iodo-4-methylaniline, 4-AMINO-2-IODOTOLUENE, 631264_ALDRICH, Benzenamine, 3-iodo-4-methyl-, EINECS 252-803-2, BRN 2353567, MolPort-001-760-352, CID118889, ZINC02169040, OR13024, Benzenamine, 3-iodo-4-methyl- (9CI), LS-154384, I0717, 2-12-00-00533 (Beilstein Handbook Reference), 35944-64-0, 29289-13-2
• IUPAC Name: 3-iodo-4-methylaniline
• Canonical SMILES: CC1=C(C=C(C=C1)N)I
• InChI Key: RRUDMHNAMZFNEK-UHFFFAOYSA-N
• Boiling Point: 289.4ºC at 760 mmHg
• Melting Point: 37-41ºC(lit.)
• Flash Point: 128.8ºC
• Density: 1.791 g/cm³
• Appearance: light brown solid
• EC Number: 252-803-2
• Exact Mass: 232.97000
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Packing Group: III
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36/37/39-45
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Iodo-4-methylaniline?

The molecular formula of 3-Iodo-4-methylaniline is C7H8IN.

What is the molecular weight of 3-Iodo-4-methylaniline?

The molecular weight of 3-Iodo-4-methylaniline is 233.05 g/mol.

What is the IUPAC name of 3-Iodo-4-methylaniline?

The IUPAC name of 3-Iodo-4-methylaniline is 3-iodo-4-methylaniline.

What is the InChI code for 3-Iodo-4-methylaniline?

The InChI code for 3-Iodo-4-methylaniline is InChI=1S/C7H8IN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3.

What is the InChIKey for 3-Iodo-4-methylaniline?

The InChIKey for 3-Iodo-4-methylaniline is RRUDMHNAMZFNEK-UHFFFAOYSA-N.

What is the canonical SMILES for 3-Iodo-4-methylaniline?

The canonical SMILES for 3-Iodo-4-methylaniline is CC1=C(C=C(C=C1)N)I.

What is the CAS number of 3-Iodo-4-methylaniline?

The CAS number of 3-Iodo-4-methylaniline is 35944-64-0.

What is the European Community (EC) number of 3-Iodo-4-methylaniline?

The European Community (EC) number of 3-Iodo-4-methylaniline is 252-803-2.

What is the DSSTox Substance ID of 3-Iodo-4-methylaniline?

The DSSTox Substance ID of 3-Iodo-4-methylaniline is DTXSID20189503.

Is 3-Iodo-4-methylaniline a canonicalized compound?

Yes, 3-Iodo-4-methylaniline is a canonicalized compound.