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655597

Sigma-Aldrich

Methyl 4-(cyanomethyl)benzoate

96%

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About This Item

Linear Formula:
CH3OOCC6H4CH2CN
CAS Number:
76469-88-0
Molecular Weight:
175.18
MDL number:
MFCD00060695
UNSPSC Code:
12352100
PubChem Substance ID:
24884115
NACRES:
NA.22

Quality Level

100

Assay

96%

bp

110 °C/0.2 mmHg (lit.)

mp

55-58 °C (lit.)

functional group

ester
nitrile

SMILES string

COC(=O)c1ccc(CC#N)cc1

InChI

1S/C10H9NO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6H2,1H3

InChI key

XRZGMNGGCZTNGE-UHFFFAOYSA-N

Hazard Statements

H412

Precautionary Statements

P273 - P501

Hazard Classifications

Aquatic Chronic 3

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBQ5231V
86197PJV
86197PJ
52496BK
93997LJ

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