Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester
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Basic information
- CAS
70042-58-9- Standard SMILES
CC(C)(C)C1(OC(=O)Cl)CCCCC1- InChIKey
ACTNFHSDNDLYAM-UHFFFAOYSA-N- Molecular formula
- C11H19ClO2
- Average molar mass
- 218.72 g/mol
- Monoisotopic mass
- 218.1073575
Overview
Tert-butylcyclohexyl chloroformate appears as a colorless liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Names & identifiers
- Preferred name
- Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester
- IUPAC
- (1-tert-butylcyclohexyl) carbonochloridate
- English name
- (1-tert-butylcyclohexyl) chloroformate
- Molecular formula
- C11H19ClO2
- Molecular weight
- 218.72
Names & synonyms
Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester70042-58-9DTXSID9075327RefChem:123617DTXCID3046617UN2747SCHEMBL8451517ACTNFHSDNDLYAM-UHFFFAOYSA-N1-tert-Butylcyclohexyl carbonochloridatetert-Butylcyclohexyl chloroformate [UN2747] [Keep away from food](1-tert-butylcyclohexyl) chloroformate
Database identifiers
- CAS
70042-58-9- PubChem CID
- 3033862
- DTXSID
DTXSID9075327
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
Physical DescriptionTert-butylcyclohexyl chloroformate appears as a colorless liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Physicochemical properties
- EPA Substance Registry System
- Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester (70042-58-9)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Health HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
Reactivity AlertsWater-Reactive
Reactivity Profile
TERT-BUTYLCYCLOHEXYL CHLOROFORMATE is incompatible with base (including amines), with strong oxidizing agents, and with alcohols. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
Air and Water ReactionsReacts exothermically with moisture in the air and with water to generate hydrochloric acid.
Safety & protection
Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
First AidExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Chemistry & industry
Applications
General DescriptionA colorless liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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