Basic information
- CAS
26657-75-0- Standard SMILES
O=C(O)c1cccc(S(=O)(=O)O)c1C(=O)O- InChIKey
SDGNNLQZAPXALR-UHFFFAOYSA-N- Molecular formula
- C8H6O7S
- Average molar mass
- 246.2 g/mol
- Monoisotopic mass
- 245.98342353
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, 3-sulfo-
- IUPAC
- 3-sulfophthalic acid
- English name
- 3-sulphophthalic acid
- Molecular formula
- C8H6O7S
- Molecular weight
- 246.19
Names & synonyms
3-Sulfophthalic acid3-Sulphophthalic acid67892-43-73-Sulfo-1,2-benzenedicarboxylic acid1,2-Benzenedicarboxylic acid, 3-sulfo-EINECS 267-576-5DTXSID2070768RefChem:411155DTXCID8045195267-576-5Sulphophthalic acidsulfophthalic acid
Show more names
26657-75-0EINECS 247-885-13-sulfobenzene-1,2-dicarboxylic acidVUT7659JSKSCHEMBL60211SCHEMBL6630725SCHEMBL6630726SCHEMBL30842657
Database identifiers
- CAS
26657-75-0、67892-43-7- PubChem CID
- 105970
- DTXSID
DTXSID2070768- UNII
- VUT7659JSK
- EC Number
- 247-885-1、267-576-5
- Nikkaji
- J168.771I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Density
- 1.793 · 1.793±0.06 g/cm3(Predicted)
- pka
- -1.51 · -1.51±0.30(Predicted)
- EPA Substance Registry System
- 3 · 3-Sulfophthalic acid (67892-43-7)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- RIDADR
- 1759 · 1759
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2079 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1,2-Benzenedicarboxylic acid, 3-sulfo-
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1759
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarboxylic acid, 3-sulfo-: ACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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