3-Iodo-4-nitrotoluene - CAS 52488-29-6
Catalog: |
BB027846 |
Product Name: |
3-Iodo-4-nitrotoluene |
CAS: |
52488-29-6 |
Synonyms: |
2-iodo-4-methyl-1-nitrobenzene |
IUPAC Name: | 2-iodo-4-methyl-1-nitrobenzene |
Description: | 3-Iodo-4-nitrotoluene (CAS# 52488-29-6) is a useful research chemical. |
Molecular Weight: | 263.03 |
Molecular Formula: | C7H6INO2 |
Canonical SMILES: | CC1=CC(=C(C=C1)[N+](=O)[O-])I |
InChI: | InChI=1S/C7H6INO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3 |
InChI Key: | DJDSQNLIZRLTHJ-UHFFFAOYSA-N |
Boiling Point: | 295 °C |
Density: | 1.862 g/cm3 |
Appearance: | Colorless to dark brown liquid |
MDL: | MFCD01320681 |
LogP: | 3.03100 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021011722-A1 | Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto | 20190717 |
CN-107325002-A | A kind of synthetic method using aryl carboxylic acid as the aryl halide of raw material | 20170628 |
CN-107325002-B | Method for synthesizing aryl halide by taking aryl carboxylic acid as raw material | 20170628 |
KR-101876527-B1 | Improved method for preparing carbazole derivatives | 20150406 |
KR-20160120205-A | Improved method for preparing carbazole derivatives | 20150406 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.94433 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.94433 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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