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| CAS No.: | 132-75-2 |
|---|---|
| Name: | 1-Naphthyl acetonitrile |
| Molecular Structure: | |
|
|
|
| Formula: | C12H9N |
| Molecular Weight: | 167.21 |
| Synonyms: | 1-Cyanomethylnaphthalene;1-Naphthylacetonitrile;2-(1-Naphthyl)acetonitrile;NSC 9844;a-Naphthylacetonitrile;1-Naphthaleneacetonitrile; |
| EINECS: | 205-078-1 |
| Density: | 1.116 g/cm3 |
| Melting Point: | 33-35 °C(lit.) |
| Boiling Point: | 323.9 °C at 760 mmHg |
| Flash Point: | 180.3 °C |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38-22 |
| Safety: | 26-37/39-24/25-37-36 |
| PSA: | 23.79000 |
| LogP: | 2.90588 |
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| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene Heating; | A 98% B 95% |
- 139109-57-2
2-[(Z)-Hydroxyimino]-3-naphthalen-1-yl-propionic acid
- 132-75-2
naphthalen-1-ylacetonitrile
| Conditions | Yield |
|---|---|
| With 1,1'-carbonyldiimidazole In benzene 1.) r.t., 15 min, 2.) 68-70 deg C, 1 h; | 97% |
| Conditions | Yield |
|---|---|
| With trichloromethyl chloroformate In various solvent(s) 0-5 deg C then heated to 60 deg C, 5 min; | 96% |
| With (dimethoxy)methylsilane; copper diacetate; 1,2-bis-(dicyclohexylphosphino)ethane In tetrahydrofuran at 20℃; for 12h; Sealed tube; | 96% |
| With phosgene In tetrahydrofuran; toluene at 25℃; for 4h; Inert atmosphere; | 91% |
| Conditions | Yield |
|---|---|
| In acetonitrile at 60℃; for 3h; 18-crown-6 polyether; | 96% |
- 37630-26-5, 4735-49-3
β-(1-naphthyl)nitroethylene
- 132-75-2
naphthalen-1-ylacetonitrile
| Conditions | Yield |
|---|---|
| With titanium tetrachloride; tetraethylammonium tosylate In N,N-dimethyl-formamide electroreduction - 4 mA/cm2; | 95% |
| Conditions | Yield |
|---|---|
| With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; bis(η3-allyl-μ-chloropalladium(II)) In 1,3,5-trimethyl-benzene at 20 - 140℃; for 5.16667h; Inert atmosphere; Sealed tube; chemoselective reaction; | 95% |
| Conditions | Yield |
|---|---|
| With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; sodium carbonate In 1,4-dioxane; water at 60℃; for 12h; Inert atmosphere; Sealed tube; | 93% |
- 133712-83-1
2-[(Z)-Hydroxyimino]-3-naphthalen-1-yl-propionic acid
- 132-75-2
naphthalen-1-ylacetonitrile
| Conditions | Yield |
|---|---|
| With 1,1'-oxalyldiimidazole In benzene 1.) r.t., 15 min, 2.) 68-70 deg C, 1 h; | 90% |
- 132-75-2
naphthalen-1-ylacetonitrile
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 100℃; for 24h; | 90% |
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 100℃; for 24h; | 90% |
- 74607-42-4
Methylsulfanyl-naphthalen-1-yl-acetonitrile
- 132-75-2
naphthalen-1-ylacetonitrile
| Conditions | Yield |
|---|---|
| With acetic acid; zinc at 100℃; for 1h; | 89% |
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Chemistry
Product Name: 1-Naphthyl acetonitrile (CAS NO.132-75-2)
Molecular Formula: C12H9N
Molecular Weight: 167.21g/mol
Mol File: 132-75-2.mol
EINECS: 205-078-1
Appearance: White to yellow solid or melt
Melting Point: 33-35 °C(lit.)
Boiling point: 323.9 °C at 760 mmHg
Flash Point: 180.3 °C
Density: 1.116 g/cm3
Refractive index: n20/D 1.6192(lit.)
Index of Refraction: 1.634
Molar Refractivity: 53.55 cm3
Molar Volume: 149.7 cm3
Surface Tension: 48.8 dyne/cm
Enthalpy of Vaporization: 58 kJ/mol
Vapour Pressure: 0.000255 mmHg at 25°C
XLogP3-AA: 2.9
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of 1-Naphthyl acetonitrile (CAS NO.132-75-2):
IUPAC Name: 2-naphthalen-1-ylacetonitrile
Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2CC#N
InChI: InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
InChIKey: OQRMWUNUKVUHQO-UHFFFAOYSA-N
Product Categories: Intermediates of Dyes and Pigments; Aromatic Nitriles
Uses
1-Naphthyl acetonitrile (CAS NO.132-75-2) is used in organic synthesis.
Toxicity Data With Reference
| 1. | ivn-mus LD50:180 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#03835 . |
Consensus Reports
Cyanide and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.
Safety Profile
Poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES.
Safety Information of 1-Naphthyl acetonitrile (CAS NO.132-75-2):
Hazard Codes: Xn
Risk Statements: 20/21/22-36/37/38-22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 26-37/39-24/25-37-36
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.
S24/25:Avoid contact with skin and eyes.
S37:Wear suitable gloves.
S36:Wear suitable protective clothing.
RIDADR: 3276
WGK Germany: 3
RTECS: AM1240000
HazardClass: 6.1
PackingGroup: III
Specification
1-Naphthyl acetonitrile , its CAS NO. is 132-75-2, the synonyms are Acetonitrile, (1-naphthyl)- ; alpha-(1-Naphthyl)acetonitrile ; alpha-Naphthyl acetonitrile ; alpha-Naphthylacetonitrile ; 1-Naphthaleneacetonitrile ; 1-Naphthylacetonitrile .