C89803
4-Cyanobenzoic acid
99%
Synonym(s):
Terephthalic acid mononitrile
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About This Item
Linear Formula:
NCC6H4CO2H
CAS Number:
Molecular Weight:
147.13
Beilstein:
1862865
EC Number:
MDL number:
UNSPSC Code:
12352103
PubChem Substance ID:
NACRES:
NA.23
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Quality Level
Assay
99%
form
liquid crystal
mp
219-221 °C (dec.) (lit.)
SMILES string
OC(=O)c1ccc(cc1)C#N
InChI
1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
InChI key
ADCUEPOHPCPMCE-UHFFFAOYSA-N
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Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
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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Gold complexes of 4-isocyanobenzoic acid, [AuX(CNC(6)H(4)CO(2)H)] (X = C[triple bond]C-C(6)H(4)-C(9)H(19), C(6)F(5), C(6)F(4)OC(6)H(13), C(6)F(4)C(6)F(4)Br) and [(mu-4,4'-C(6)F(4)C(6)F(4)){Au(CNC(6)H(4)CO(2)H)}(2)], have been isolated. These metallo-acids are luminescent. The single crystal X-ray diffraction study of [Au(C(6)F(5))(CNC(6)H(4)CO(2)H)](infinity) confirms a rod-like structure of the molecule, with a linear
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