5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran

HCID 219475CAS 5337-94-0

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(C)Cc2cc(Br)ccc2O1
InChIKey: OTTUXKDHMIKPFI-UHFFFAOYSA-N
Molecular formula: C10H11BrO
Average molar mass: 227.1 g/mol
Monoisotopic mass: 225.99932707

Names & identifiers

Preferred name: 5-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran
IUPAC: 5-bromo-2,2-dimethyl-3H-1-benzofuran
English name: 5-bromo-2,2-dimethyl-3H-benzofuran
Molecular formula: C10H11BrO
Molecular weight: 227.1

Names & synonyms

5-bromo-2,2-dimethyl-2,3-dihydro-1-benzofuranDTXSID002770985-BROMO-2,3-DIHYDRO-2,2-DIMETHYLBENZOFURANRefChem:532898DTXCID50228257827-403-15337-94-05-BROMO-2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN5-bromo-2,2-dimethyl-3H-1-benzofuranNSC853SCHEMBL5269029SCHEMBL31185052

Show more names

5-bromo-2,2-dimethyl-3H-benzofuranBenzofuran, 5-bromo-2,3-dihydro-2,2-dimethyl-

NSC 853NSC-853OTTUXKDHMIKPFI-UHFFFAOYSA-NFAA33794MFCD13176697AKOS005362866AB666155-BROMO-2,2-DIMETHYLBENZOFURAN

Database identifiers

CAS: 5337-94-0
PubChem CID: 219475
DTXSID: DTXSID00277098
EC Number: 827-403-1
Nikkaji: J811.921J

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 179

Physicochemical properties

Boiling point: 258.9 · 258.9±29.0 °C(Predicted)
Density: 1.383 · 1.383±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

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: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501