2-Iodo-3-nitrotoluene - CAS 6277-17-4
Catalog: |
BB031790 |
Product Name: |
2-Iodo-3-nitrotoluene |
CAS: |
6277-17-4 |
Synonyms: |
2-iodo-1-methyl-3-nitrobenzene |
IUPAC Name: | 2-iodo-1-methyl-3-nitrobenzene |
Description: | 2-Iodo-3-nitrotoluene (CAS# 6277-17-4) is a useful research chemical. |
Molecular Weight: | 263.03 |
Molecular Formula: | C7H6INO2 |
Canonical SMILES: | CC1=C(C(=CC=C1)[N+](=O)[O-])I |
InChI: | InChI=1S/C7H6INO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3 |
InChI Key: | AKYPSJARSQSCHJ-UHFFFAOYSA-N |
Boiling Point: | 301.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.883 g/cm3 |
MDL: | MFCD00091040 |
LogP: | 3.03100 |
GHS Hazard Statement: | H302 (99.49%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3696157-A1 | Process for friedel-crafts reaction, and catalyst therefore | 20190215 |
US-2020262775-A1 | Process for Friedel-Crafts Reaction, and Catalyst Therefore | 20190215 |
WO-2020164218-A1 | New process for friedel-crafts reaction, and catalyst therefore | 20190215 |
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 |
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: | 3.1 |
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