|
|
|
Substance Name: Cyclohexylisocyanate
RN: 3173-53-3
UNII: T699595BLW
InChIKey: KQWGXHWJMSMDJJ-UHFFFAOYSA-N
Note
- Degradation product of 1-(2-chloroethyl)-3-cyclohexyl- 1-nitrosourea.
Classification Code
- Mutation Data
Molecular Formula
- C7-H11-N-O
Molecular Weight
- 125.17
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- Cyclohexylisocyanate
Synonyms
- AI3-28283
- Cyclohexyl isocyanate
- Cyclohexylisocyanate
- EC 221-639-3
- EINECS 221-639-3
- HSDB 8037
- Isocyanatocyclohexane
- NSC 87419
- UNII-T699595BLW
Systematic Names
- Cyclohexane, isocyanato-
- Cyclohexyl isocyanate
- Isocyanic acid, cyclohexyl ester
Superlist Names
- Cyclohexyl isocyanate
- Cyclohexyl isocyanate [UN2488] [Poison]
- Isocyanic acid, cyclohexyl ester
- UN2488
Registry Numbers
CAS Registry Number
- 3173-53-3
FDA UNII
- T699595BLW
System Generated Number
- 0003173533
Structure Descriptors
InChI
1S/C7H11NO/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2InChIKey
KQWGXHWJMSMDJJ-UHFFFAOYSA-NSmiles
C1(CCCCC1)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 13mg/kg (13mg/kg) | National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986, | |
| mouse | LD50 | intravenous | 18mg/kg (18mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04502, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -8.00E+01 | deg C | EXP | |
| Boiling Point | 172 | deg C | EXP | |
| log P (octanol-water) | 3.060 | (none) | EST | |
| Water Solubility | 236 | mg/L | 25 | EST |
| Vapor Pressure | 1.02 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.68E-03 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.00E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.