-
Name
4-ISOPROPYLBENZONITRILE
- EINECS 237-492-3
- CAS No. 13816-33-6
- Article Data84
- CAS DataBase
- Density 0.96 g/cm3
- Solubility
- Melting Point 51.5°C (estimate)
- Formula C10H11 N
- Boiling Point 231.5 ºC at 760 mmHg
- Molecular Weight 145.204
- Flash Point 93.6 ºC
- Transport Information
- Appearance colorless liquid.
- Safety 26-37 39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Benzonitrile,p-isopropyl- (6CI,7CI,8CI); 4-Isopropylbenzonitrile; Cuminylnitrile;p-Cyanocumene; p-Isopropylbenzonitrile
- PSA 23.79000
- LogP 2.68168
p-ISOPROPYLBENZONITRILE Chemical Properties
IUPAC Name: 4-Propan-2-ylbenzonitrile
Synonyms: 4-Isopropylbenzonitrile ; Cuminyl nitrile ; Cumin nitrile ; 3-Isopropylbenzonitrile ; 4-(1-Methylethyl)-benzonitril ; 4-(1-methylethyl)benzonitrile ; 4-(1-methylethyl)-benzonitrile ; Benzonitrile, p-isopropyl-
CAS NO: 13816-33-6
Molecular Formula of P-Isopropylbenzonitrile (CAS NO.13816-33-6) : C10H11N
Molecular Weight of P-Isopropylbenzonitrile (CAS NO.13816-33-6) : 145.2
Molecular Structure of P-Isopropylbenzonitrile (CAS NO.13816-33-6) : 
EINECS: 237-492-3
BRN : 1932883
Product Categories: Organics
Mol File: 13816-33-6.mol
Index of Refraction: 1.515
Surface Tension: 36.9 dyne/cm
Density: 0.96 g/cm3
Flash Point: 93.6 °C
Enthalpy of Vaporization: 46.81 kJ/mol
Boiling Point: 231.5 °C at 760 mmHg
Vapour Pressure: 0.0623 mmHg at 25°C
p-ISOPROPYLBENZONITRILE Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MOD | FCTOD7 Food and Chemical Toxicology. 21 (1983),837. | ||
| 2. | orl-rat LD50:3900 mg/kg | FCTOD7 Food and Chemical Toxicology. 21 (1983),837. |
p-ISOPROPYLBENZONITRILE Consensus Reports
Reported in EPA TSCA Inventory.
p-ISOPROPYLBENZONITRILE Safety Profile
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes 
Xi
Risk Statements 36/37/38
R36/37/38: P-Isopropylbenzonitrile (CAS NO.13816-33-6) is irritating to eyes, respiratory system and skin.
Safety Statements 26-37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37:Wear suitable gloves.
RTECS DI4650000
Hazard Note Irritant
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