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302538

Sigma-Aldrich

3-Cyanobenzoyl chloride

99%

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Linear Formula:
NCC6H4COCl
CAS Number:
Molecular Weight:
165.58
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

99%

bp

125-129 °C/11 mmHg (lit.)

mp

42-44 °C (lit.)

SMILES string

ClC(=O)c1cccc(c1)C#N

InChI

1S/C8H4ClNO/c9-8(11)7-3-1-2-6(4-7)5-10/h1-4H

InChI key

RPESZQVUWMFBEO-UHFFFAOYSA-N

Application

3-Cyanobenzoyl chloride was used in preparation of 3-cyanobenzoyl-glycine methyl ester and 6A,6D-bis[3-(aminomethyl)benzoyl-glycyl-amino]-6A,6D-dideoxy-β-cyclodextrin.

Pictograms

CorrosionExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Skin Corr. 1B

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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