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Key Documents

272728

Sigma-Aldrich

Benzoylacetonitrile

99%

Synonym(s):

β-Oxohydrocinnamonitrile

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About This Item

Linear Formula:
C6H5COCH2CN
CAS Number:
Molecular Weight:
145.16
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

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Quality Level

assay

99%

form

solid

bp

160 °C/10 mmHg (lit.)

mp

82-83 °C (lit.)

SMILES string

O=C(CC#N)c1ccccc1

InChI

1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2

InChI key

ZJRCIQAMTAINCB-UHFFFAOYSA-N

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Application

Benzoylacetonitrile was used in the synthesis of substituted naphtho[1,8-bc]pyrans[1]. It was also used as building block in the preparation of 4H-pyrans[2][3][4], 2-pyridones[5][6], furans[7] and carbocyclics[8][9][10].

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Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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Journal of Heterocyclic Chemistry, 15, 57-57 (1978)
Organic preparations and procedures international, 18, 85-85 (1986)
Synthesis, 513-513 (1982)
Heterocycles, 14, 639-639 (1980)
Journal of the Chemical Society. Perkin Transactions 1, 1681-1681 (1985)

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