Carbonochloridic acid, cyclohexyl ester
Basic information
- CAS
13248-54-9- Standard SMILES
O=C(Cl)OC1CCCCC1- InChIKey
IWVJLGPDBXCTDA-UHFFFAOYSA-N- Molecular formula
- C7H11ClO2
- Average molar mass
- 162.61 g/mol
- Monoisotopic mass
- 162.0447573
Names & identifiers
- Preferred name
- Carbonochloridic acid, cyclohexyl ester
- IUPAC
- cyclohexyl carbonochloridate
- English name
- Cyclohexyl chloroformate
- Molecular formula
- C7H11ClO2
- Molecular weight
- 162.61
Names & synonyms
Cyclohexyl chloroformatecyclohexyl carbonochloridateCarbonochloridic acid, cyclohexyl esterEINECS 236-230-5DTXSID2065383RefChem:574544DTXCID2034097236-230-513248-54-9Chloroformic acid cyclohexyl esterCYCLOHEXYLCHLOROFORMATE(Cyclohexyloxy)carbonyl chloride
Show more names
AT-51099cyclohcxyl chlrorformatecyclohexyl chloromethanoatecarbonochloridicacid,cyclohexylester
Formic acid, chloro-, cyclohexyl esterCyclohexyl Ester Carbonochloridic Acid, (Cyclohexyloxy)carbonyl Chloride; Chloroformic Acid Cyclohexyl EstercyclohexylcarbonochloridateSCHEMBL82977CFS37667DPAKOS006272896AS-91780FC145349
Database identifiers
- CAS
13248-54-9- PubChem CID
- 83262
- DTXSID
DTXSID2065383- UNII
- CFS37667DP
- EC Number
- 236-230-5
- Nikkaji
- J68.545C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 87.5 ℃ · 87.5℃
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
- CAS DataBase Reference
- 13248 · 13248-54-9(CAS DataBase Reference)
- FDA UNII
- 37667 DP · CFS37667DP
- EPA Substance Registry System
- Carbonochloridic acid, cyclohexyl ester (13248-54-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Risk Statements
- 23 · 23/24/25-34
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (66.7%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3277
- risk_code
- 23/24/25-34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbonochloridic acid, cyclohexyl ester: ACTIVE
Applications
UsesCyclohexyl Chloroformate acts as a protecting group for amines and indoles in peptide synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
30 records
Compound notes
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