CAS 66826-78-6 5-Bromo-2,3-dihydro-1-benzofuran (HCID 2776159)

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Basic information

CAS: 66826-78-6
Standard SMILES: Brc1ccc2c(c1)CCO2
InChIKey: UDWFSJAYXTXMLM-UHFFFAOYSA-N
Molecular formula: C8H7BrO
Average molar mass: 199.04 g/mol
Monoisotopic mass: 197.96802694

Names & identifiers

Preferred name: 5-Bromo-2,3-dihydro-1-benzofuran
IUPAC: 5-bromo-2,3-dihydro-1-benzofuran
English name: 5-Bromo-2,3-dihydro-1-benzofuran
Molecular formula: C8H7BrO
Molecular weight: 199.04

Names & synonyms

5-bromo-2,3-dihydro-1-benzofuranRefChem:532910672-987-166826-78-65-Bromo-2,3-dihydrobenzofuran5-Bromo-2,3-dihydrobenzo[b]furanBenzofuran, 5-bromo-2,3-dihydro-MFCD026777165-bromo-2,3-dihydro-benzofuranAKOS000181575AC-6669FS-1499

Show more names

BUTTPARK 36\18-162,3-Dihydro-5-broMobenzofuran5-Bromo-2,3-dihydrobenzofuran >6-bromo-5-methyl-2,3-dihydrobenzofuran

5-BromocoumaranB4318EN300-125642Z299596228BCP08601AM808065FT-0602079SCHEMBL155111

Database identifiers

CAS: 66826-78-6
PubChem CID: 2776159
DTXSID: DTXSID50379854
EC Number: 672-987-1

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 49 °C · 49 °C
Boiling point: 251.7 · 251.7±29.0 °C(Predicted)
Density: 1.582 · 1.582±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
color: White to Light yellow
CAS DataBase Reference: 66826 · 66826-78-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-52-22
Safety Statements: 26 · 26-36/37/39-37/39
HS Code

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

hs_code: 2932990090
risk_code: 36/37/38-52-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280

Chemistry & industry

Applications

Uses5-Bromo-2,3-dihydrobenzofuran, is an organic building block that can be used in the synthesis of Darifenacin (D193400), a drug used to treat urinary incontinence.