Basic information
- CAS
32385-30-1- Standard SMILES
O=C(O)CCS(=O)(=O)c1ccc2ccccc2c1- InChIKey
OSYQPWIOAFNQLP-UHFFFAOYSA-N- Molecular formula
- C13H12O4S
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.04563003
Names & identifiers
- Preferred name
- 3-(Naphthalene-2-sulfonyl)propanoic acid
- IUPAC
- 3-naphthalen-2-ylsulfonylpropanoic acid
- English name
- 3-(2-naphthylsulfonyl)propanoic acid
- Molecular formula
- C13H12O4S
- Molecular weight
- 264.3
Names & synonyms
32385-30-13-(naphthalene-2-sulfonyl)propanoic acidRefChem:495694878-957-63-(2-naphthylsulfonyl)propanoic acidMFCD002228103-naphthalen-2-ylsulfonylpropanoic acid3-(naphthalen-2-ylsulfonyl)propanoic acidPropanoic acid, 3-(2-naphthalenylsulfonyl)-CBDivE_005454TimTec1_004279Oprea1_279507
Show more names
2-naphthylsulfonylpropionic acid3-(2-naphthylsulfonyl)propionic acid
Oprea1_778596SCHEMBL7826055HMS1546C11ALBB-010576SBB022232STK317841AKOS000126643VS-08765
Database identifiers
- CAS
32385-30-1- PubChem CID
- 684362
- EC Number
- 878-957-6
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 548.7 · 548.7±42.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- pka
- 3.77 · 3.77±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P362+P364-P301+P312+P330-P302+P352+P312-P304+P340+P312
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P362+P364-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…