2-Phenyl-1,3-dithiolane
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Basic information
- CAS
5616-55-7- Standard SMILES
c1ccc(C2SCCS2)cc1- InChIKey
RKBPDPLCHXWHRQ-UHFFFAOYSA-N- Molecular formula
- C9H10S2
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.02239267
Names & identifiers
- Preferred name
- 2-Phenyl-1,3-dithiolane
- IUPAC
- 2-phenyl-1,3-dithiolane
- English name
- Benzaldehyde ethane-1,2-diyl dithioacetal
- Molecular formula
- C9H10S2
- Molecular weight
- 182.31
Names & synonyms
2-Phenyl-1,3-dithiolane5616-55-71,3-DITHIOLANE, 2-PHENYL-Benzaldehyde ethylene dithioacetal6FVQ28Z7PBNSC-41541DTXSID30204695RefChem:1064123DTXCID601271862-phenyl-[1,3]dithiolaneMFCD01729637NSC 41541
Show more names
Benzaldehyde ethane-1,2-diyl dithioacetalBenzaldehyde (ethane-1,2-diyl)dithioacetal
BRN 0120833C9H10S2NSC41541UNII-6FVQ28Z7PBSCHEMBL3078602SCHEMBL3232940SCHEMBL3365309SCHEMBL11795657
Database identifiers
- CAS
5616-55-7- PubChem CID
- 21830
- DTXSID
DTXSID30204695- UNII
- 6FVQ28Z7PB
- Nikkaji
- J91.191G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Melting point
- 68 · 68-70 °C
- Boiling point
- 145 °C · 145 °C(Press: 1 Torr)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to lump
- color
- White to Almost white
- FDA UNII
- 6 FVQ28Z7PB · 6FVQ28Z7PB
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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