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157163

3-Cyanobenzoic acid

Name: 3-Cyanobenzoic acid
Brand: ALDRICH

98%

Synonym(s):

Isophthalic acid mononitrile

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About This Item

Linear Formula:

NCC₆H₄CO₂H

CAS Number:

1877-72-1

Molecular Weight:

147.13

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24849661

EC Number:

217-511-1

Beilstein/REAXYS Number:

1862566

MDL number:

MFCD00002486

Assay:

98%

Form:

powder

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Properties

Quality Segment

100

assay

98%

form

powder

mp

220-224 °C (lit.)

functional group

carboxylic acid, nitrile

SMILES string

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

InChI

1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)

InChI key

GYLKKXHEIIFTJH-UHFFFAOYSA-N

Description

Application

3-Cyanobenzoic acid was used in the preparation of new Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers via in situ [2+3] cycloaddition reactions with NaN₃ in the presence of Zn(II) and/or Co(II) salts under hydrothermal conditions. It was also used in the synthesis of three-dimensional coordination polymer, [Mn₃(OH)₂Na₂(3-cnba)₆]_n (3-Hcnba = 3-cyanobenzoic acid).

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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