111-69-3
Product Name:
Adiponitrile
Formula:
C6H8N2
Synonyms:
1,4-Dicyanobutane;1,6-hexanedinitrile;Adiponitrile;ADN;Hexanedinitrile
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Adiponitrile appears as a colorless to light yellow liquid which is fairly soluble and is less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. |
|---|---|
| Color/Form | NEEDLES FROM ETHER |
| Odor | Practically odorless. |
| Boiling Point | 563 °F at 760 mmHg (EPA, 1998) |
| Melting Point | 36.1 °F (EPA, 1998) |
| Flash Point | 199.4 °F (EPA, 1998) |
| Solubility | 50 to 100 mg/mL at 73 °F (NTP, 1992) |
| Density | 0.965 at 68 °F (EPA, 1998) - Less dense than water; will float |
| Vapor Density | 3.73 (EPA, 1998) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 2 mmHg at 246 °F (NTP, 1992) |
| LogP | log Kow= -0.32 |
| Autoignition Temperature | 1022 °F (USCG, 1999) |
| Decomposition | WHEN HEATED TO DECOMP RELEASES VAPORS CONTAINING HYDROCYANIC ACID. |
| Viscosity | 9.1 cP @ 20 °C; 2.6 cP @ 70 °C |
| Heat of Combustion | -40.4X10+6 J/kg |
| Heat of Vaporization | 70.4X10+4 J/kg |
| Refractive Index | Index of refraction: 1.4380 @ 20 °C/D |
| Kovats Retention Index | 1090 |
| Other Experimental Properties | Vap: 2 mm Hg @ 119 °C |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H332:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 108.14 g/mol |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 108.068748264 g/mol |
| Monoisotopic Mass | 108.068748264 g/mol |
| Topological Polar Surface Area | 47.6 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 113 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Adiponitrile appears as a colorless to light yellow liquid which is fairly soluble and is less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.