(Phenylthio)acetyl chloride - CAS 7031-27-8
Catalog: |
BB034129 |
Product Name: |
(Phenylthio)acetyl chloride |
CAS: |
7031-27-8 |
Synonyms: |
2-phenylsulfanylacetyl chloride |
IUPAC Name: | 2-phenylsulfanylacetyl chloride |
Description: | (Phenylthio)acetyl chloride (CAS# 7031-27-8) is a useful research chemical. |
Molecular Weight: | 186.66 |
Molecular Formula: | C8H7ClOS |
Canonical SMILES: | C1=CC=C(C=C1)SCC(=O)Cl |
InChI: | InChI=1S/C8H7ClOS/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2 |
InChI Key: | TWOLQIUHVMTAAE-UHFFFAOYSA-N |
Boiling Point: | 253.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.258 g/mL at 25 °C (lit.) |
MDL: | MFCD00054471 |
LogP: | 2.54410 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021107872-A1 | Composites, methods and uses thereof | 20191126 |
JP-2019521995-A | Benzofuro- or benzothienoquinoline substituted at specific positions for organic light-emitting diodes | 20160622 |
KR-20190020683-A | Specially substituted benzofuro- and benzothienoquinolines for organic light emitting diodes | 20160622 |
US-2019161497-A1 | Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes | 20160622 |
WO-2017221999-A1 | Specifically substituted benzofuro- and benzothienoquinolines for organic light emitting diodes | 20160622 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.9906137 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.9906137 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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