ChemicalBook--->CAS DataBase List--->4702-34-5

4702-34-5

4702-34-5 Structure

4702-34-5 Structure
IdentificationBack Directory
[Name]

3,4-dihydro-1H-2-benzopyran-1-one
[CAS]

4702-34-5
[Synonyms]

1-Isochromanon
1-Isochromanone
Isochroman-1-one
Einecs 225-179-4
1-oxo-isochroMan
1-Isochromanone>
3,4-Dihydroisocoumarin
3,4-dihydroisochroMen-1-one
4-dihydro-1H-2-benzopyran-1-one
3,4-dihydro-1H-2-benzopyran-1-one
1H-2-Benzopyran-1-one,3,4-dihydro-
1H-2-Benzopyran-1-one,3,4-dihydro-(9CI)
isochroman-1-one: 3,4-dihydro-1H-2-benzopyran-1-one
[EINECS(EC#)]

225-179-4
[Molecular Formula]

C9H8O2
[MDL Number]

MFCD00799232
[MOL File]

4702-34-5.mol
[Molecular Weight]

148.159
Chemical PropertiesBack Directory
[Melting point ]

37-39 °C
[Boiling point ]

160°C/11mmHg(lit.)
[density ]

1.2030
[refractive index ]

1.5640 to 1.5680
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Light orange to Yellow
[InChI]

InChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2
[InChIKey]

XVTAQSGZOGYIEY-UHFFFAOYSA-N
[SMILES]

C1OC(=O)C2=CC=CC=C2C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
[HS Code ]

2932990090
Hazard InformationBack Directory
[Definition]

ChEBI: The simplest member of the class of dihydroisocoumarins that is the 3,4-dihydro derivative of isocoumarin.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 79, p. 3165, 1957 DOI: 10.1021/ja01569a047
Tetrahedron Letters, 37, p. 4179, 1996 DOI: 10.1016/0040-4039(96)00789-7
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-dihydro-1H-2-benzopyran-1-one(4702-34-5)1HNMR
3,4-dihydro-1H-2-benzopyran-1-one(4702-34-5)FT-IR
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