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6-Bromo-1H-2-benzopyran-4(3H)-one

HCID 45489802
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
676134-68-2
Standard SMILES
O=C1COCc2ccc(Br)cc21
InChIKey
KOROTCDTJPLXMA-UHFFFAOYSA-N
Molecular formula
C9H7BrO2
Average molar mass
227.057 g/mol
Monoisotopic mass
225.96294156

Names & identifiers

Preferred name
6-Bromo-1H-2-benzopyran-4(3H)-one
IUPAC
6-Bromo-1H-2-benzopyran-4(3H)-one
English name
6-Bromo-4-isochromanone
Molecular formula
C9H7BrO2
Molecular weight
227.05

Names & synonyms

6-Bromo-4-isochromanone6-Bromoisochroman-4-one6-bromo-1H-isochromen-4(3H)-one1H-2-Benzopyran-4(3H)-one, 6-bromo-6-bromo-3,4-dihydro-1H-2-benzopyran-4-one

Database identifiers

CAS
676134-68-2
PubChem CID
45489802
DTXSID
DTXSID80670467

Properties

Physicochemical properties

Boiling point
336.1 · 336.1±42.0 °C(Predicted)
Density
1.621 · 1.621±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Appearance
White to yellow Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Benzoic acid, 5-bromo-2-[(carboxymethoxy)methyl]-

Related reactions

4 records
New reaction record
HRID 1296107 reaction equation
HRID 1296107As reactantuspto-grants-2007_07
HRID 1562431 reaction equation
HRID 1562431As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1985065 reaction equation
HRID 1985065As reactantuspto-grants-2009_06
HRID 1991516 reaction equation
HRID 1991516As reactantuspto-grants-2010_01

Compound notes

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