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647195

Sigma-Aldrich

5-Cyanophthalide

97%

Synonym(s):

1,3-Dihydro-1-oxo-5-isobenzofurancarbonitrile, 5-Cyano-3H-isobenzofuranone

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About This Item

Empirical Formula (Hill Notation):
C9H5NO2
CAS Number:
82104-74-3
Molecular Weight:
159.14
EC Number:
279-900-2
MDL number:
MFCD01072882
UNSPSC Code:
12352100
PubChem Substance ID:
24883516
NACRES:
NA.22

Quality Level

100

Assay

97%

form

solid

mp

201-205 °C (lit.)

functional group

ester
nitrile

SMILES string

O=C1OCc2cc(ccc12)C#N

InChI

1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2

InChI key

XEEGWTLAFIZLSF-UHFFFAOYSA-N

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP1230
MKCK4412
MKCJ4773
MKCJ4907
MKBX7680V

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