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4-CYANOBENZAMIDE
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Name

4-CYANOBENZAMIDE

 EINECS 221-223-1
CAS No. 3034-34-2 Density 1.24 g/cm3
PSA 66.88000 LogP 1.35748
Solubility N/A Melting Point 227ºC
Formula C8H6 N2 O Boiling Point 350.2 ºC at 760 mmHg
Molecular Weight 146.148 Flash Point 165.6 ºC
Transport Information N/A Appearance Beige powder
Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx. Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 3034-34-2 (4-CYANOBENZAMIDE) Hazard Symbols Xn
Synonyms

Benzamide,p-cyano- (6CI,7CI,8CI); 4-Cyanobenzamide; p-Cyanobenzamide

Article Data 97

4-CYANOBENZAMIDE Synthetic route

52707-54-7, 52707-59-2, 64847-77-4

4-cyanobenzaldehyde oxime

3034-34-2

4-cyanobenzamide

Conditions
ConditionsYield
With Cu(II) on nano silica functionalized triazine dendrimer In water at 20℃; for 0.5h; Beckmann Rearrangement; Green chemistry;98%
With Cu(II)-metformin immobilized ongraphene oxide In water at 100℃; for 0.5h; Beckmann Rearrangement; Green chemistry;96%
With [Ru(κ(3)-tpy)(κ(1)-P-PPh2Py)Cl2] In toluene for 12h; Beckmann rearrangement; Reflux;80%
With Cu(II) complex on SiO2-coated Fe3O4 nanoparticles at 80℃; for 1h; Beckmann Rearrangement; Green chemistry;80%
105-07-7

4-cyanobenzaldehyde

3034-34-2

4-cyanobenzamide

Conditions
ConditionsYield
Stage #1: 4-cyanobenzaldehyde With hydroxylamine hydrochloride; sodium hydrogencarbonate In water
Stage #2: In water at 100℃; for 10h;		98%
With hydroxylamine hydrochloride; sodium carbonate In water at 80℃; for 48h;96%
With hydroxylamine hydrochloride; sodium carbonate In water at 80℃; for 22h; Green chemistry;95%
119072-55-8, 7188-38-7

tert-butylisonitrile

3956-07-8

4-iodobenzamide

3034-34-2

4-cyanobenzamide

Conditions
ConditionsYield
With copper (II) trifluoroacetate hydrate; palladium diacetate In dimethyl sulfoxide at 130℃; for 10h; Sealed tube; Inert atmosphere;98%
874-89-5

4-Cyanobenzyl alcohol

3034-34-2

4-cyanobenzamide

Conditions
ConditionsYield
With [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; silver trifluoroacetate; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In N,N-dimethyl-formamide at 8℃; for 9h; Reagent/catalyst; Solvent;96.2%
With iron(III) chloride; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; hydroxylamine hydrochloride; iodine; potassium carbonate In 1,2-dichloro-ethane at 90℃; for 32h;83%
623-26-7

terephthalonitrile

3034-34-2

4-cyanobenzamide

Conditions
ConditionsYield
Stage #1: terephthalonitrile With Br(1-)*C24H30N4Rh(1+); water In isopropyl alcohol at 25℃; for 0.5h; Inert atmosphere;
Stage #2: With potassium tert-butylate In isopropyl alcohol at 25℃; for 12h; Inert atmosphere;		96%
With water In dimethyl sulfoxide at 100℃; Green chemistry;96%
With sodium tetrahydroborate In ethanol; water at 80℃; for 4h; regioselective reaction;94%

4-cyano-N-phenyl-N-tosylbenzamide

3034-34-2

4-cyanobenzamide

Conditions
ConditionsYield
With ammonium carbonate In dimethyl sulfoxide at 25℃; for 6h;85%

potassiumhexacyanoferrate(II) trihydrate

698-67-9

p-bromobenzamide

3034-34-2

4-cyanobenzamide

Conditions
ConditionsYield
With tris-(dibenzylideneacetone)dipalladium(0); tris(2-morpholinophenyl)phosphine; potassium carbonate In water; tert-butyl alcohol at 85℃; for 10h; Schlenk technique; Inert atmosphere;82%
557-21-1

zinc(II) cyanide

698-67-9

p-bromobenzamide

3034-34-2

4-cyanobenzamide

Conditions
ConditionsYield
With dmap; 1,1'-bis-(diphenylphosphino)ferrocene; nickel(II) chloride hexahydrate; zinc In acetonitrile at 80℃; for 6h; Schlenk technique; Inert atmosphere; Sealed tube;82%
619-55-6

para-methylbenzamide

3034-34-2

4-cyanobenzamide

Conditions
ConditionsYield
With hydroxylamine hydrochloride; 2,4,6-triphenylpyrylium tetrafluoroborate; oxygen; ammonium bromide In acetonitrile at 40℃; under 750.075 Torr; for 24h; Molecular sieve; Irradiation;82%
557-21-1

zinc(II) cyanide

619-56-7

4-chlorobenzamide

3034-34-2

4-cyanobenzamide

Conditions
ConditionsYield
With dmap; 1,1'-bis-(diphenylphosphino)ferrocene; nickel(II) chloride hexahydrate; zinc In acetonitrile at 80℃; for 6h; Schlenk technique; Inert atmosphere; Sealed tube;80%
With dmap; 1,1'-bis-(diphenylphosphino)ferrocene; nickel(II) chloride hexahydrate; zinc In acetonitrile at 80℃; for 6h; Inert atmosphere; Sealed tube;80%

4-CYANOBENZAMIDE Chemical Properties

IUPAC Name: 4-Cyanobenzamide
Synonyms: 4-Cyanobenamide ; 4-Cyano-benzamid;benzamide, 4-cyano- ; Cyanobenzamide ; P-Cyano-benzamid ; P-Cyano benzamide ; 4-Cyanobenzamide ; Benzamide, 4-cyano- (9ci)
Product Categories: AMIDE;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Aromatic Building Blocks
CAS NO: 3034-34-2
Molecular Formula: C8H6N2O
Molecular Weight: 146.15
Molecular Structure:
EINECS: 221-223-1 Mol
File: 3034-34-2.mol
Index of Refraction: 1.592
Surface Tension: 59.9 dyne/cm
Density: 1.24 g/cm3
Flash Point: 165.6 °C
Melting point: 227 °C
Enthalpy of Vaporization: 59.48 kJ/mol
Boiling Point: 350.2 °C at 760 mmHg
Vapour Pressure: 4.46E-05 mmHg at 25°C
Appearance: 4-Cyanobenzamide (CAS NO.3034-34-2) is beige powder.

4-CYANOBENZAMIDE Toxicity Data With Reference

1.    

ipr-rat LD50:609 mg/kg

     APFRAD    Annales Pharmaceutiques Francaises. 48 (1990),23.
2.    

orl-mus LD :>1620 mg/kg

     APFRAD    Annales Pharmaceutiques Francaises. 41 (1983),391.
3.    

ipr-mus LD50:783 mg/kg

     APFRAD    Annales Pharmaceutiques Francaises. 48 (1990),23.

4-CYANOBENZAMIDE Safety Profile

Risk Statements 20/21/22-36/37/38
R20/21/22: 4-Cyanobenzamide (CAS NO.3034-34-2) is harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39: When 4-Cyanobenzamide (CAS NO.3034-34-2) is used ,wear suitable gloves and eye/face protection.
RIDADR 3439
RTECS CV2484500

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