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| CAS No.: | 1075-76-9 |
|---|---|
| Name: | 3-Anilinopropionitrile |
| Article Data: | 89 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H10N2 |
| Molecular Weight: | 146.192 |
| Synonyms: | Propionitrile,3-anilino- (6CI,7CI,8CI);(b-Cyanoethyl)aniline;3-(N-Phenylamino)propionitrile;3-(Phenylamino)propanenitrile;3-(Phenylamino)propionitrile;N-(2-Cyanoethyl)aniline;N-(Cyanoethyl)aniline;N-(b-Cyanoethyl)aniline;NSC 80663;b-Anilinopropionitrile; |
| EINECS: | 214-057-6 |
| Density: | 1.08 g/cm3 |
| Melting Point: | 52-53 °C(lit.) |
| Boiling Point: | 329.2 °C at 760 mmHg |
| Flash Point: | 152.9 °C |
| Solubility: | Insoluble in water |
| Appearance: | Yellow to light beige powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-37/39-36/37 |
| PSA: | 35.82000 |
| LogP: | 2.08518 |
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| Conditions | Yield |
|---|---|
| With bis{(1R)-1-[(S)-2-(diphenylphosphino)ferrocenyl]ethyl}cyclohexylphosphine; nickel(II) perchlorate hexahydrate In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; | 99% |
| With nickel(II) ferrite In water at 100℃; Michael Addition; Green chemistry; | 99% |
| With aluminum oxide at 20℃; for 8h; aza-Michael addition; Neat (no solvent); | 98% |
| Conditions | Yield |
|---|---|
| With styrene; 10 wt% Pd(OH)2 on carbon In toluene at 140℃; under 3750.38 Torr; for 13h; Flow reactor; | 96% |
| Conditions | Yield |
|---|---|
| With styrene; 5%-palladium/activated carbon; 10 wt% Pd(OH)2 on carbon; hydrogen In cyclohexanone; toluene at 140℃; under 1500.15 - 3750.38 Torr; for 13h; | 96% |
| Conditions | Yield |
|---|---|
| With potassium iodide In acetonitrile at 170℃; under 4875.39 Torr; for 0.166667h; microwave irradiation; | 83% |
| Conditions | Yield |
|---|---|
| With potassium cyanide; 18-crown-6 ether at 100℃; for 10h; Neat (no solvent); | 82% |
- 107-13-1
acrylonitrile
- 62-53-3
aniline
A
- 1555-66-4
N,N-bis(2-cyanoethyl)aniline
B
- 1075-76-9
N-cyanoethylaniline
| Conditions | Yield |
|---|---|
| With OMS-MIL-100(Fe) In toluene at 50℃; for 24h; Michael Addition; Sealed tube; Schlenk technique; Green chemistry; | A 9% B 71% |
- 94-34-8
N-(2-cyanoethyl)-N-methylaniline
A
- 107591-19-5
3-(methylphenylamino)-2-propenenitrile
B
- 1075-76-9
N-cyanoethylaniline
| Conditions | Yield |
|---|---|
| With oxygen In N,N-dimethyl acetamide; water at 110℃; under 760.051 Torr; for 12h; | A 13 %Chromat. B 19% |
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Chemistry
IUPAC Name: 3-Anilinopropanenitrile
CAS: 1075-76-9
Formula: C9H10N2
Molecular Weight: 146.19
Molecular Structure of 3-Anilinopropanenitrile (CAS NO.1075-76-9):
Density: 1.08 g/cm3
Flash Point: 152.9 °C
Melting Point: 52-53 °C(lit.)
Boiling Point: 329.2 °C at 760 mmHg
Index of Refraction: 1.58
Molar Refractivity: 45.04 cm3
Molar Volume: 135.2 cm3
Polarizability: 17.85×10-24cm3
Surface Tension: 46.8 dyne/cm
Appearance: yellow to light beige powder
Enthalpy of Vaporization: 57.17 kJ/mol
Vapour Pressure: 0.00018 mmHg at 25°C
Water Solubility: 4583(mg/L) at 25°C
Product Categories: intermediates of dyes and pigments.
Toxicity Data With Reference
| 1. | orl-rat LD50:4700 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 32 (9)(1988),50. | ||
| 2. | orl-mus LD50:2560 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 32 (9)(1988),32. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
Safety Information about 3-Anilinopropanenitrile (CAS NO.1075-76-9):
Hazard Codes:
Xn: 
Risk Statements about 3-Anilinopropanenitrile (CAS NO.1075-76-9):
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/21: Harmful by inhalation and in contact with skin.
Safety Statements about 3-Anilinopropanenitrile (CAS NO.1075-76-9):
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39: Wear suitable gloves and eye/face protection.
S36/37: Wear suitable protective clothing and gloves.
WGK Germany: 3
RTECS: UG0770000
Specification
3-Anilinopropanenitrile with CAS number of 1075-76-9 is also known as N-(2-cyanoethyl)aniline ; N-cyanoethyl aniline ; Timtec-bb sbb004106;(Beta-Cyanoethyl)aniline ; 2-Phenylaminopropionitrile ; 3-(Phenylamino)-propanenitril ; 3-(Phenylamino)-Propanenitrile ; 3-Anilino-propanenitril Harmful if absorbed through the skin. May cause irritation of the digestive tract. May be harmful if swallowed. Harmful if inhaled. May cause respiratory tract irritation. As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Use water spray, dry chemical, carbon dioxide, or chemical foam. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Store in a cool, dry place. Store in a tightly closed container.