5-Bromo-1,3-dihydro-benzo(c)thiophene 2,2-dioxide

HCID 288396

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Basic information

CAS: 351005-12-4
Standard SMILES: O=S1(=O)Cc2ccc(Br)cc2C1
InChIKey: QRJKMGQWHAQEST-UHFFFAOYSA-N
Molecular formula: C8H7BrO2S
Average molar mass: 247.11 g/mol
Monoisotopic mass: 245.93501256

Overview

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Names & identifiers

Preferred name: 5-Bromo-1,3-dihydro-benzo(c)thiophene 2,2-dioxide
IUPAC: 5-bromo-1,3-dihydro-2-benzothiophene 2,2-dioxide
English name: 5-BROMO-1,3-DIHYDRO-BENZO(C)THIOPHENE 2,2-DIOXIDE
Molecular formula: C8H7BrO2S
Molecular weight: 247.11

Names & synonyms

351005-12-45-Bromo-1,3-dihydro-benzo(c)thiophene 2,2-dioxide5-Bromo-1,3-dihydrobenzo[c]thiophene 2,2-dioxideMFCD006668875-bromo-1,3-dihydro-2-benzothiophene 2,2-dioxideNSC149592SCHEMBL11966015-bromo-1,3-dihydro-benzo[c]thiophene 2,2-dioxideBenzo[c]thiophene, 5-bromo-1,3-dihydro-, 2,2-dioxideDTXSID50302187QRJKMGQWHAQEST-UHFFFAOYSA-NBPA00512

Show more names

5-bromo-1,3-dihydro-2-benzothiophene2,2-dioxide

AKOS024325573NSC-149592SB21845AS-34869SY098314DB-413527CS-00506605-Bromo-1,3-dihydrobenzo[c]thiophene2,2-dioxide

Database identifiers

CAS: 351005-12-4
PubChem CID: 288396
DTXSID: DTXSID50302187

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 267

Physicochemical properties

Boiling point: 429.3 · 429.3±45.0 °C(Predicted)
Density: 1.749 · 1.749±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405

Safety & regulation

Safety data

Signal word: warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405