Thiophene, 3-bromo-2,3-dihydro-, 1,1-dioxide
Basic information
- CAS
53336-42-8- Standard SMILES
O=S1(=O)C=CC(Br)C1- InChIKey
OFHNLUNDNLABJQ-UHFFFAOYSA-N- Molecular formula
- C4H5BrO2S
- Average molar mass
- 197.05 g/mol
- Monoisotopic mass
- 195.91936
Names & identifiers
- Preferred name
- Thiophene, 3-bromo-2,3-dihydro-, 1,1-dioxide
- IUPAC
- 3-bromo-2,3-dihydrothiophene 1,1-dioxide
- English name
- 3-Bromo-2,3-dihydro-thiophene 1,1-dioxide
- Molecular formula
- C4H5BrO2S
- Molecular weight
- 197.05
Names & synonyms
53336-42-83-Bromo-2,3-dihydrothiophene 1,1-dioxideThiophene, 3-bromo-2,3-dihydro-, 1,1-dioxide3-Bromo-2,3-dihydrothiophene-1,1-dioxideNSC 227878DTXSID80886046RefChem:189614DTXCID8010253963-Bromo-2,3-dihydro-thiophene 1,1-dioxide4-Bromo-2-sulfoleneMFCD00462449NSC227878
Show more names
3-Bromo-2,3-dihydrothiophene1,1-dioxide3-Bromo-2,1-dioxide3-bromo-2,3-dihydro-1lambda6-thiophene-1,1-dioneSCHEMBL19888970OFHNLUNDNLABJQ-UHFFFAOYSA-NDCA33642SBB041205AKOS000117764
Database identifiers
- CAS
53336-42-8- PubChem CID
- 99822
- DTXSID
DTXSID80886046- EC Number
- 974-018-0
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 64.5 · 64.5-65 °C
- Boiling point
- 352.3 · 352.3±42.0 °C(Predicted)
- Density
- 1.914 · 1.914±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- EPA Substance Registry System
- 3 · Thiophene, 3-bromo-2,3-dihydro-, 1,1-dioxide (53336-42-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
- HS Code
- 2934999090 · 2934999090
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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. 3 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiophene, 3-bromo-2,3-dihydro-, 1,1-dioxide: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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