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Substance Name: Suberonitrile
RN: 629-40-3
UNII: JNT1LXA02U
InChIKey: BTNXBLUGMAMSSH-UHFFFAOYSA-N
Molecular Formula
- C8-H12-N2
Molecular Weight
- 136.197
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Suberonitrile
Synonyms
- 1,6-Dicyanohexane
- 3-02-00-01768 (Beilstein Handbook Reference)
- AI3-33237
- BRN 1744365
- EC 211-089-2
- EINECS 211-089-2
- Korksaeuredinitril
- Korksaeuredinitril [German]
- NSC 51242
- Octanedinitrile
- Suberic acid dinitrile
- Suberonitrile
- UNII-JNT1LXA02U
Systematic Names
- Octanedinitrile
- Suberonitrile
Registry Numbers
CAS Registry Number
- 629-40-3
FDA UNII
- JNT1LXA02U
System Generated Number
- 0000629403
Structure Descriptors
InChI
1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2InChIKey
BTNXBLUGMAMSSH-UHFFFAOYSA-NSmiles
C(CCCC#N)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | oral | 25mg/kg (25mg/kg) | Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969. | |
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969. | |
| mouse | LD50 | oral | 307mg/kg (307mg/kg) | Archives of Toxicology. Vol. 57, Pg. 88, 1985. | |
| rabbit | LD50 | oral | 25mg/kg (25mg/kg) | Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969. | |
| rat | LD50 | oral | 150mg/kg (150mg/kg) | Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -3.50E+00 | deg C | EXP | |
| log P (octanol-water) | 0.59 | (none) | EXP | |
| Water Solubility | 1.48E+04 | mg/L | 25 | EST |
| Vapor Pressure | 4.43E-03 | mm Hg | 25 | EST |
| Henry's Law Constant | 5.23E-08 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 3.54E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.