Benzoic acid, 3,3'-thiobis[6-hydroxy-
Basic information
- CAS
1820-99-1- Standard SMILES
O=C(O)c1cc(Sc2ccc(O)c(C(=O)O)c2)ccc1O- InChIKey
DWMJRSPNFCPIQN-UHFFFAOYSA-N- Molecular formula
- C14H10O6S
- Average molar mass
- 306.29 g/mol
- Monoisotopic mass
- 306.01980921
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-thiobis[6-hydroxy-
- IUPAC
- 5-(3-carboxy-4-hydroxyphenyl)sulfanyl-2-hydroxybenzoic acid
- English name
- 5,5'-Thiodisalicylic acid
- Molecular formula
- C14H10O6S
- Molecular weight
- 306.29
Names & synonyms
5,5'-Thiodisalicylic acidBenzoic acid, 3,3'-thiobis[6-hydroxy-Benzoic acid, 3,3'-thiobis(6-hydroxy-DTXSID1061996RefChem:565695DTXCID1035789635-695-51820-99-15,5'-Thiobis(2-hydroxybenzoic acid)MFCD000202645-(3-carboxy-4-hydroxyphenyl)sulfanyl-2-hydroxybenzoic acid5-[(3-carboxy-4-hydroxyphenyl)sulfanyl]-2-hydroxybenzoic acid
Show more names
Thiodisalicylicacid5,5'-Thiodisalicylic Acid >5,5-THIODISALICYLIC ACID 98+%3,3’-thiobis[6-hydroxy-benzoicaci5,5′-Thiodisalicylic Acid, CAS 1820-99-15-[(3-carboxy-4-hydroxy-phenyl)thio]-2-hydroxy-benzoic acid
5-(3-carboxy-4-hydroxy-phenyl)sulfanyl-2-hydroxy-benzoic acidThiodisalicylic acidSalicylic acid der.5,5''-Thiodisalicylic AcidSCHEMBL341888SCHEMBL29623237DWMJRSPNFCPIQN-UHFFFAOYSA-AKOS015856713
Database identifiers
- CAS
1820-99-1- PubChem CID
- 74562
- DTXSID
DTXSID1061996- EC Number
- 635-695-5
- Nikkaji
- J208.962I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- solubility
- almost transparency in hot EtOH
- form
- powder to crystal
- color
- White to Light yellow
- CAS DataBase Reference
- 1820 · 1820-99-1
- EPA Substance Registry System
- 3 · Benzoic acid, 3,3'-thiobis[6-hydroxy- (1820-99-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- TSCA
- TSCA listed
- HS Code
- 2930909099 · 2930909099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (97.5%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2930909099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3,3'-thiobis[6-hydroxy-: INACTIVE
Applications
Uses5,5''-Thiodisalicylic Acid is used in manufacturing method of polyarylene sulfide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…