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About This Item
Linear Formula:
NCC6H4COCl
CAS Number:
Molecular Weight:
165.58
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
99%
bp
125-129 °C/11 mmHg (lit.)
mp
42-44 °C (lit.)
functional group
acyl chloride
nitrile
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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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