2-Nitrobenzonitrile - CAS 612-24-8
Catalog: |
BB031009 |
Product Name: |
2-Nitrobenzonitrile |
CAS: |
612-24-8 |
Synonyms: |
2-nitrobenzonitrile |
IUPAC Name: | 2-nitrobenzonitrile |
Description: | 2-Nitrobenzonitrile (CAS# 612-24-8) is a useful research chemical. |
Molecular Weight: | 148.12 |
Molecular Formula: | C7H4N2O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C#N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H4N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H |
InChI Key: | SWBDKCMOLSUXRH-UHFFFAOYSA-N |
Boiling Point: | 165 °C (16 torr) |
Purity: | 99 % |
Density: | 1.31 g/cm3 |
Appearance: | Yellow crystalline powder |
MDL: | MFCD00007044 |
LogP: | 1.98968 |
GHS Hazard Statement: | H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P361, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112958162-A | Palladium catalyst for catalyzing quinazolinone synthesis and olefination reaction | 20210222 |
CN-111499539-A | Aryl cyanide synthesis method using aryl carboxylic acid as raw material | 20200420 |
CN-111269144-A | Preparation method of aminobenzonitrile | 20200407 |
CN-111303028-A | 4-cyano-2-difluoromethyl substituted quinoline compound and synthetic method thereof | 20200317 |
CN-111303029-A | 4-cyano-2-trifluoromethyl substituted quinoline compound and synthetic method thereof | 20200317 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.027277375 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.027277375 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 69.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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