Carbonochloridic acid, cyclohexyl ester

HCID 83262CAS 13248-54-9

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Basic information

Standard SMILES: O=C(Cl)OC1CCCCC1
InChIKey: IWVJLGPDBXCTDA-UHFFFAOYSA-N
Molecular formula: C7H11ClO2
Average molar mass: 162.61 g/mol
Monoisotopic mass: 162.04475727

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 esterCyclohexyl Ester Carbonochloridic Acid, (Cyclohexyloxy)carbonyl Chloride; Chloroformic Acid Cyclohexyl Estercyclohexylcarbonochloridate

Show more names

AT-51099cyclohcxyl chlrorformatecyclohexyl chloromethanoatecarbonochloridicacid,cyclohexylester

CYCLOHEXYLCHLOROFORMATESCHEMBL82977CFS37667DP(Cyclohexyloxy)carbonyl chlorideAKOS006272896Formic acid, chloro-, cyclohexyl esterAS-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 Å²
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
RIDADR: 3277 · 3277
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

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.