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| CAS No.: | 3034-34-2 |
|---|---|
| Name: | 4-CYANOBENZAMIDE |
| Molecular Structure: | |
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|
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| Formula: | C8H6 N2 O |
| Molecular Weight: | 146.148 |
| Synonyms: | Benzamide,p-cyano- (6CI,7CI,8CI); 4-Cyanobenzamide; p-Cyanobenzamide |
| EINECS: | 221-223-1 |
| Density: | 1.24 g/cm3 |
| Melting Point: | 227ºC |
| Boiling Point: | 350.2 ºC at 760 mmHg |
| Flash Point: | 165.6 ºC |
| Appearance: | Beige powder |
| Hazard Symbols: | Xn |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 66.88000 |
| LogP: | 1.35748 |
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4-cyanobenzaldehyde oxime
- 3034-34-2
4-cyanobenzamide
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With copper (II) trifluoroacetate hydrate; palladium diacetate In dimethyl sulfoxide at 130℃; for 10h; Sealed tube; Inert atmosphere; | 98% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
- 3034-34-2
4-cyanobenzamide
| Conditions | Yield |
|---|---|
| With ammonium carbonate In dimethyl sulfoxide at 25℃; for 6h; | 85% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
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Chemistry
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.
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. |
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