Products Categories
| CAS No.: | 645-59-0 |
|---|---|
| Name: | 3-PHENYLPROPIONITRILE |
| Article Data: | 361 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H9 N |
| Molecular Weight: | 131.177 |
| Synonyms: | Hydrocinnamonitrile(6CI,7CI,8CI); (2-Cyanoethyl)benzene; 1-Cyano-2-phenylethane;1-Phenyl-2-cyanoethane; 2-Phenylethyl cyanide; 3-Phenylpropanenitrile;3-Phenylpropanonitrile; 3-Phenylpropionitrile; Benzenepropionitrile;Benzylacetonitrile; Dihydrocinnamonitrile; NSC 16936; Phenethyl cyanide; b-Phenylpropionitrile |
| Density: | 1.001 g/mL at 25 °C(lit.) |
| Melting Point: |
−2-−1 °C(lit.) |
| Boiling Point: |
113 °C9 mm Hg(lit.) |
| Flash Point: | >230 °F |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 T
|
| Risk Codes: | R25; |
| Safety: | Poison by ingestion, intravenous, and subcutaneous routes. When heated to decomposition it emits toxic fumes of CN−. See also NITRILES. |
| PSA: | 23.79000 |
| LogP: | 2.14278 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:34 Page 1 of 1 1
What can I do for you?
Get Best Price
Chemistry
Molecular Structure of Hydrocinnamonitrile (CAS NO. 645-59-0):
EINECS: 211-447-8
IUPAC Name: 3-Phenylpropanenitrile
Molecular Formula: C9H9N
Molecular Weight: 131.174460 g/mol
XLogP3: 1.7
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: C1=CC=C(C=C1)CCC#N
InChI: InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
InChIKey: ACRWYXSKEHUQDB-UHFFFAOYSA-N
Index of Refraction: 1.522
Molar Refractivity: 40.34 cm3
Molar Volume: 132.1 cm3
Surface Tension: 39.8 dyne/cm
Density: 0.992 g/cm3
Flash Point: 129 °C
Enthalpy of Vaporization: 49.96 kJ/mol
Boiling Point: 261.8 °C at 760 mmHg
Vapour Pressure: 0.0113 mmHg at 25 °C
Melting Point: -2- -1 °C(lit.)
Water Solubility: 1679 mg/L at 25 °C
Refractive Index: n20/D 1.521(lit.)
BRN: 636348
Toxicity Data With Reference
| 1. | orl-mus LD50:116 mg/kg | ARTODN Archives of Toxicology. 55 (1984),47. | ||
| 2. | ivn-rbt LDLo:39 mg/kg | COREAF Comptes Rendus Hebdomadaires des Seances de l’Academie des Sciences. 153 (1911),895. | ||
| 3. | scu-gpg LDLo:150 mg/kg | COREAF Comptes Rendus Hebdomadaires des Seances de l’Academie des Sciences. 153 (1911),895. |
Consensus Reports
Cyanide and its compounds are on the Community Right-To-Know List.
Safety Profile
Safety Information of Hydrocinnamonitrile (CAS NO. 645-59-0):
Hazard Codes: T 
,C 
Risk Statements: 23/24/25-36-34
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed
R36:Irritating to eyes
R34:Causes burns
Safety Statements: 36/37/39-45-27-26
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S27:Take off immediately all contaminated clothing
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RIDADR: UN 3276 6.1/PG 3
WGK Germany: 3
RTECS: MW5604750
HazardClass: 6.1
PackingGroup: II
Poison by ingestion, intravenous, and subcutaneous routes. When heated to decomposition it emits toxic fumes of CN−. See also NITRILES.
Specification
Hydrocinnamonitrile with cas registry number of 645-59-0 is clear colorless to light yellow liquid, also known as (2-Cyanoethyl)benzene ; 2-Phenylethyl cyanide ; 3-Phenylpropanenitrile ; 3-Phenylpropiononitrile ; 3-Phenylpropionitrile ; 4-09-00-01764 (Beilstein Handbook Reference) ; AI3-23733 ; Benzenepropionitrile ; Benzenepropanenitrile ; Hydrocinnamique nitrile ; Hydrocinnamique nitrile [French] ; NSC 16936 ; Phenethyl cyanide ; Phenylpropionitrile .