(1,1'-Biphenyl)-4-sulfonic acid

HCID 16673CAS 2113-68-0

Substructure search Find similar structures

Basic information

Standard SMILES: O=S(=O)(O)c1ccc(-c2ccccc2)cc1
InChIKey: XDTYUYVIGLIFCW-UHFFFAOYSA-N
Molecular formula: C12H10O3S
Average molar mass: 234.27 g/mol
Monoisotopic mass: 234.03506518

Names & identifiers

Preferred name: (1,1'-Biphenyl)-4-sulfonic acid
IUPAC: 4-phenylbenzenesulfonic acid
English name: 4-BIPHENYLSULFONIC ACID
Molecular formula: C12H10O3S
Molecular weight: 234.27

Names & synonyms

2113-68-0[1,1'-Biphenyl]-4-sulfonic acid4-Hydroxybiphenyl-O-sulfonic acidDTXSID5062186(1,1'-Biphenyl)-4-sulfonic acidHBPSARefChem:68073DTXCID4036431621-734-34-Biphenylsulfonic acid4-phenylbenzenesulfonic acid4-Sulfobiphenyl

Show more names

SKL244TIMTEC-BB SBB007647[1,1’-biphenyl]-4-sulfonicacid1,1'-Biphenyl]-4-sulfonic acid

Biphenyl-4-sulfonic acidp-Biphenylsulfonic acidp-Diphenylsulfonic acid[1,1'-Biphenyl]-4-sulfonicacidMFCD000147334-Biphenylsulfonic4-Biphenylsuifonic acid4-Biphenyl sulfonic acid

Database identifiers

CAS: 2113-68-0
PubChem CID: 16673
DTXSID: DTXSID5062186
EC Number: 621-734-3
Nikkaji: J21.951G

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 304

Physicochemical properties

Melting point: 135 · 135-138°C
Density: 1.319 · 1.319±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature, keep dry and cool
pka: -0.61 · -0.61±0.50(Predicted)
Appearance: White to off-white Solid
Water Solubility: Soluble in water.
BRN: 2107412 · 2107412
InChIKey: XDTYUYVIGLIFCW-UHFFFAOYSA-N
CAS DataBase Reference: 2113 · 2113-68-0(CAS DataBase Reference)
EPA Substance Registry System: 1 · [1,1'-Biphenyl]-4-sulfonic acid (2113-68-0)
Symbol(GHS): 5 · GHS05
Signal word: Warning
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed
HazardClass: 8 · 8

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (90.7%)

Safety data

tsca: TSCA listed
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS05
safety_code: 26-36/37/39
hazard_class: 8
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information[1,1'-Biphenyl]-4-sulfonic acid: ACTIVE

Applications

UsesBiphenyl-4-sulfonic acid hydrate is used as a catalyst for the hydrolysis of cellulose to prepare D-glucose with higher yield. It is a better catalyst than sulfuric acid for cellulose hydrolysis.