Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 3   > 3-Pentafluorosulfur benzoyl chloride
53197-57-2 structure

3-Pentafluorosulfur benzoyl chloride

Iupac Name:5-hydroxy-2-(4-hydroxyphenyl)benzoic acid
CAS No.:53197-57-2
EINECS(EC#): 1533716-785-6
Molecular Weight:230.219
Molecular Formula:C14H8O8S2 (isomer)
Names and Identifiers
Synonyms

3-(pentafluoro-$l^{6}-sulfanyl)benzoyl chloride 3-(pentafluorosulfanyl)benzoyl chloride 3-(pentafluorothio)benzoyl chloride acm401892817 AK185607 DTXSID00381326 IDHIADOQLRPGHK-UHFFFAOYSA-N mfcd03788522 OR171164 pc0807 SBB053612 SCHEMBL477610 ZINC95676525 zx-ap007105

Inchi
InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17/h1-7,14-15H,(H,16,17)
InChkey
BBGRLYLKUDNCGG-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C2=C(C=C(C=C2)O)C(=O)O)O
Properties
Density
1.606
Safety and Handling
HazardClass
IRRITANT
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:230.219g/mol
  • Molecular Formula:C14H8O8S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.2
  • Exact Mass:230.058
  • Monoisotopic Mass:230.058
  • Complexity:271
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
<