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Substance Name: Capronitrile
RN: 628-73-9
UNII: S1XKP5498P
InChIKey: AILKHAQXUAOOFU-UHFFFAOYSA-N
Molecular Formula
- C6-H11-N
Molecular Weight
- 97.1599
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Capronitrile
Synonyms
- 1-Cyanopentane
- 4-02-00-00930 (Beilstein Handbook Reference)
- AI3-28396
- BRN 1633601
- Capronitrile
- EINECS 211-052-0
- Hexanenitrile
- Hexanonitrile
- n-Capronitrile
- NSC 1076
- Pentyl cyanide
- Tricapronile
- UNII-S1XKP5498P
Systematic Name
- Hexanenitrile
Registry Numbers
CAS Registry Number
- 628-73-9
FDA UNII
- S1XKP5498P
System Generated Number
- 0000628739
Structure Descriptors
InChI
1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3InChIKey
AILKHAQXUAOOFU-UHFFFAOYSA-NSmiles
CCCCCC#NToxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LDLo | subcutaneous | 310mg/kg (310mg/kg) | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911. | |
mouse | LD50 | oral | 463mg/kg (463mg/kg) | Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984. | |
rabbit | LDLo | intravenous | 42mg/kg (42mg/kg) | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | -8.03E+01 | deg C | EXP | |
Boiling Point | 163.6 | deg C | EXP | |
log P (octanol-water) | 1.66 | (none) | EXP | |
Water Solubility | 2480 | mg/L | 25 | EST |
Vapor Pressure | 2.85 | mm Hg | 25 | EXP |
Henry's Law Constant | 9.49E-05 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 3.09E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.