2,3-Dihydro-2-methylbenzofuran

HCID 101130

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Basic information

CAS: 1746-11-8
Standard SMILES: CC1Cc2ccccc2O1
InChIKey: BWCJVGMZEQDOMY-UHFFFAOYSA-N
Molecular formula: C9H10O
Average molar mass: 134.17 g/mol
Monoisotopic mass: 134.07316494

Names & identifiers

Preferred name: 2,3-Dihydro-2-methylbenzofuran
IUPAC: 2-methyl-2,3-dihydro-1-benzofuran
English name: 2,3-DIHYDRO-2-METHYLBENZOFURAN
Molecular formula: C9H10O
Molecular weight: 134.18

Names & synonyms

2,3-Dihydro-2-methylbenzofuran2-Methyl-2,3-dihydrobenzofuran2-MethylcoumaranBenzofuran, 2,3-dihydro-2-methyl-EINECS 217-124-8AI3-18884NSC 403556RefChem:81686Benzofuran, 2,3dihydro2methyl217-124-8BWCJVGMZEQDOMY-UHFFFAOYSA-N1746-11-8

Show more names

Dihydromethylbenzofuran2,3-dihydro-2-methyl-benzofura2,3-Dihydro-2-methylbenzofuran >

2-Methyl-2,3-dihydro-1-benzofuranMFCD00023003Benzofuran,3-dihydro-2-methyl-AKOS0004470412-Methyl-2,3-dihydro-1-benzofuran #racemic 2-methyl-2,3-dihydrobenzofuranBenzofuran,2,3-dihydro-2-methyl-2,3-dihydro-2-methylbenzo[b]furan

Database identifiers

CAS: 1746-11-8
PubChem CID: 101130
DTXSID: DTXSID60870908
EC Number: 217-124-8
Nikkaji: J13.059A

Properties

Computed structural properties

XLogP: 2.4
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: 122

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Benzofuran Derivatives

Physical DescriptionSolid; [Aldrich MSDS]

Physicochemical properties

Boiling point: 198 °C · 198 °C
Density: 1.04 · 1.04
refractive index: 1.529 · 1.5290-1.5330
Flash point: 62 °C · 62 °C
storage temp.: 2 · 2-8°C
form: liquid
color: Pale yellow
CAS DataBase Reference: 1746 · 1746-11-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 · P210-P280-P370+P378-P403+P235-P501
RTECS: 6653950 · DF6653950
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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

Hazards SummaryMay cause irritation; [Aldrich MSDS] See Benzofuran.

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Safety data

rtecs: DF6653950
hs_code: 2932990090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H227
Precautionary statements: P210-P280-P370+P378-P403+P235-P501

Chemistry & industry

Applications

Uses2-Methylcoumaran is an impurity formed during the synthesis of metabolites of Diclofenac (D436450), a nonsteroidal anti-inflammatory compound an decycloxygenase (COX) inhibitor.