4-(Methylsulfonyl)benzonitrile - CAS 22821-76-7
Catalog: |
BB017760 |
Product Name: |
4-(Methylsulfonyl)benzonitrile |
CAS: |
22821-76-7 |
Synonyms: |
4-methylsulfonylbenzonitrile; 4-methylsulfonylbenzonitrile |
IUPAC Name: | 4-methylsulfonylbenzonitrile |
Description: | 4-(Methylsulfonyl)benzonitrile (CAS# 22821-76-7) is a useful research chemical. |
Molecular Weight: | 181.21 |
Molecular Formula: | C8H7NO2S |
Canonical SMILES: | CS(=O)(=O)C1=CC=C(C=C1)C#N |
InChI: | InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,1H3 |
InChI Key: | FARXIDYHJAANGP-UHFFFAOYSA-N |
Boiling Point: | 385.8 ℃ at 760 mmHg |
Density: | 1.32 g/cm3 |
MDL: | MFCD00216489 |
LogP: | 2.04258 |
GHS Hazard Statement: | H302 (50%): 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-113130994-A | Electrolyte and electrochemical device comprising same | 20191230 |
CN-110943253-A | High-voltage lithium ion battery combined electrolyte additive, electrolyte and battery thereof | 20191024 |
CN-112279845-A | Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof | 20190724 |
WO-2020191252-A1 | Technologies useful for oligonucleotide preparation | 20190320 |
CN-111662239-A | 1,2, 4-triazole compound and preparation method and pharmaceutical application thereof | 20190306 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.01974964 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.01974964 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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