4,4'-Dithiodibenzoic acid
Basic information
- CAS
1155-51-7- Standard SMILES
O=C(O)c1ccc(SSc2ccc(C(=O)O)cc2)cc1- InChIKey
GAMSSMZJKUMFEY-UHFFFAOYSA-N- Molecular formula
- C14H10O4S2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.00205114
Overview
structure in first source
Names & identifiers
- Preferred name
- 4,4'-Dithiodibenzoic acid
- IUPAC
- 4-[(4-carboxyphenyl)disulfanyl]benzoic acid
- English name
- 4,4'-Dithiobisbenzoic Acid, Technical Grade
- Molecular formula
- C14H10O4S2
- Molecular weight
- 306.36
Names & synonyms
1155-51-74,4'-Dithiodibenzoic acidDTXSID60151123RefChem:911830DTXCID50736144,4'-Dithiobisbenzoic acid4-[(4-carboxyphenyl)disulfanyl]benzoic acid4,4'-disulfanediyldibenzoic acidNSC2102814,4'-Dithiobisbenzoic Acid, Technical GradeBenzoic acid, 4,4'-dithiobis-NSC-210281
Show more names
p-Carboxyphenyl disulfideBis(4-carboxyphenyl) disulfide4-[(4-carboxyphenyl)disulfanyl]benzoicaci4-(4-carboxyphenyl)disulfanylbenzoic acid
4,4''-Dithiobis[benzoic acid]MFCD00045857BIS(4-CARBOXYPHENYL)DISULFIDE4,4'-DithiobisbenzoicacidBenzoic acid,4,4'-dithiobis-NSC 210281dicarboxydiphenyldisulfideDK7FEZ2ABJ
Database identifiers
- CAS
1155-51-7- PubChem CID
- 308480
- DTXSID
DTXSID60151123- ChEMBL
CHEMBL120846- UNII
- DK7FEZ2ABJ
- Nikkaji
- J614.057B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 317 · 317-320°C dec.
- Boiling point
- 525.2 · 525.2±35.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMF (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 3.58 · 3.58±0.10(Predicted)
- color
- White to Pale Yellow to Pale Orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4,4''-Dithiobisbenzoic Acid, Technical Grade (cas# 1155-51-7) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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