Dibenzofuran-2-sulphonic acid

HCID 522803

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Basic information

CAS: 83863-63-2
Standard SMILES: O=S(=O)(O)c1ccc2oc3ccccc3c2c1
InChIKey: JANFYPHFIPGYTQ-UHFFFAOYSA-N
Molecular formula: C12H8O4S
Average molar mass: 248.26 g/mol
Monoisotopic mass: 248.01432991

Names & identifiers

Preferred name: Dibenzofuran-2-sulphonic acid
IUPAC: dibenzofuran-2-sulfonic acid
English name: DIBENZOFURAN-2-SULFONIC ACID
Molecular formula: C12H8O4S
Molecular weight: 248.25

Names & synonyms

83863-63-22-Dibenzofuransulfonic acidDibenzofuran-2-sulphonic acidEINECS 281-128-6DTXSID20232760RefChem:586411DTXCID50155251281-128-6Dibenzo[b,d]furan-2-sulfonic acidDIBENZOFURAN-2-SULFONIC ACIDMFCD00092344QVQ3YZG4ZU

Show more names

TIMTEC-BB SBB0076902-benzofuransulfonic acid2-Dibenzofuranesulfonicaciddibenzofuran-2-sulfonic acid hydrateDIBENZOFURAN-2-SULPHONIC ACID MONOHYDRATEDibenzofuran-2-sulfonic acid hydrate, 97%,

Dibenzofuran-2-sulfonsaureSCHEMBL2818655JANFYPHFIPGYTQ-UHFFFAOYSA-MFCD09953666SBB040930Dibenzo[b,d]furan-2-sulfonic acid #AKOS000269062AS-77588

Database identifiers

CAS: 83863-63-2
PubChem CID: 522803
DTXSID: DTXSID20232760
UNII: QVQ3YZG4ZU
EC Number: 281-128-6
Nikkaji: J236.343G

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 75.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 386

Physicochemical properties

Melting point: 144 · 144-145°C
Density: 1.52 · 1.520±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Powder
pka: 0.13 · 0.13±0.30(Predicted)
color: Grey to Dark Grey
Sensitive: Hygroscopic
CAS DataBase Reference: 83863 · 83863-63-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.