Basic information
- CAS
5279-49-2- Standard SMILES
NS(=O)(=O)c1ccc2c(c1)OCO2- InChIKey
JHTLPSNDZNHQDZ-UHFFFAOYSA-N- Molecular formula
- C7H7NO4S
- Average molar mass
- 201.2 g/mol
- Monoisotopic mass
- 201.00957888
Names & identifiers
- Preferred name
- 3,4-Methylenedioxyphenylsulfonamide
- IUPAC
- 1,3-benzodioxole-5-sulfonamide
- English name
- 1,3-dioxaindane-5-sulfonamide
- Molecular formula
- C7H7NO4S
- Molecular weight
- 201.2
Names & synonyms
1,3-Benzodioxole-5-sulfonamide5279-49-23,4-MethylenedioxyphenylsulfonamideHoe-1144RefChem:91266benzo[d][1,3]dioxole-5-sulfonamide2H-1,3-benzodioxole-5-sulfonamide1,3-dioxaindane-5-sulfonamidebenzo(1,3)dioxole-5-sulfonamidebenzo[1,3]dioxole-5-sulfonamideHoe 1144A1C4X
Show more names
SCHEMBL2005036SCHEMBL5610526DTXSID80967248JHTLPSNDZNHQDZ-UHFFFAOYSA-NFAA279493,4-methylenedioxyphenyl-sulfonamideAKOS009386356DB-132347
Database identifiers
- CAS
5279-49-2- PubChem CID
- 192809
- DTXSID
DTXSID80967248- EC Number
- 184-041-0
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 159.5 °C · 159.5 °C
- Boiling point
- 392.5 · 392.5±52.0 °C(Predicted)
- Density
- 1.552 · 1.552±0.06 g/cm3(Predicted)
- pka
- 10.3 · 10.30±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
3 records
Compound notes
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