Cyanomethyl 4-Methylbenzenesulfonate - CAS 14562-04-0
Catalog: |
BB009976 |
Product Name: |
Cyanomethyl 4-Methylbenzenesulfonate |
CAS: |
14562-04-0 |
Synonyms: |
4-methylbenzenesulfonic acid cyanomethyl ester; cyanomethyl 4-methylbenzenesulfonate |
IUPAC Name: | cyanomethyl 4-methylbenzenesulfonate |
Description: | Cyanomethyl 4-Methylbenzenesulfonate (CAS# 14562-04-0 ) is a useful research chemical. |
Molecular Weight: | 211.24 |
Molecular Formula: | C9H9NO3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCC#N |
InChI: | InChI=1S/C9H9NO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,7H2,1H3 |
InChI Key: | PFXOLUYGXYEFOR-UHFFFAOYSA-N |
Boiling Point: | 393.6 °C at 760 mmHg |
Density: | 1.29 g/cm3 |
LogP: | 2.30468 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111635368-A | Preparation method of amine compound | 20200612 |
CN-111635368-B | Preparation method of amine compound | 20200612 |
WO-2021166701-A1 | Cured film-forming composition, alignment material, and phase difference material | 20200217 |
WO-2021106858-A1 | Cured film-forming composition, alignment material, and phase difference material | 20191125 |
WO-2020241642-A1 | Cured film formation composition, alignment member, and retardation member | 20190527 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.03031432 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.03031432 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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