Cyclohexancarbaldehyd

Cyclohexanecarboxaldehyde

HCID 16275CAS 2043-61-0
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Grundinformationen

Standard-SMILES
O=CC1CCCCC1
InChIKey
KVFDZFBHBWTVID-UHFFFAOYSA-N
Summenformel
C7H12O
Durchschnittliche Molmasse
112,17 g/mol
Monoisotopische Masse
112,088815

Überblick

Cyclohexanecarbaldehyde is an aliphatic aldehyde that is cyclohexane substituted by a formyl group at position 1. It has a role as a plant metabolite. It is a carbocyclic compound and an aliphatic aldehyde.

Namen und Bezeichner

Bevorzugter Name
Cyclohexanecarboxaldehyde
IUPAC
cyclohexanecarbaldehyde
Lokaler Name
Cyclohexancarbaldehyd
Englischer Name
Cyclohexanecarboxaldehyde
Summenformel
C7H12O
Molmasse
112.17

Namen und Synonyme

CYCLOHEXANECARBOXALDEHYDE2043-61-0CyclohexanecarbaldehydeCyclohexanalHexahydrobenzaldehydeFormylcyclohexaneCyclohexanealdehydeCyclohexanaldehydeCyclohexylcarboxaldehyde1-FormylcyclohexaneCyclohexylformaldehydeCyclohexane formaldehyde
Weitere Namen anzeigen
CyclohexancarboxaldehydeBINO-007ohexanecarbaLFormylcyclohexan
CyclohexanaecarboxaldehydeSW0X317TE3NSC-68509DTXSID40174375RefChem:129559DTXCID9096866218-057-7Cyclohexylmethanal

Datenbank-Bezeichner

CAS
2043-61-0
PubChem CID
16275
DTXSID
DTXSID40174375
ChEBI
CHEBI:197359
UNII
SW0X317TE3
EC Number
218-057-7
Nikkaji
J7.861A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aldehydes
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
34 · 34-35°C
Siedepunkt
161 · 161-163 °C (lit.)
Dichte
0.926 g/mL · 0.926 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.452(lit.)
Flammpunkt
105 °F · 105 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 72 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 25-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20821
Hazards SummaryA skin and strong eye irritant; A lachrymator; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxikologische Informationen

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

Sicherheitsdaten

F
8-9-23
wgk
3
ridadr
UN 1989 3/PG 3
hs_code
29122990
risk_code
10-36/37/38-36
hazard_code
Xi,F

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenCyclohexanecarboxaldehyde was used to study gas-phase microwave spectrum of cyclohexanecarboxaldehyde. It was used for the synthesis of poly(vinyl cyclohexanal). It was used as model substrate in the synthesis of propargylamines using Fe3O4 nanoparticles as catalyst. It was employed in an aldol reaction with ethyl diazoacetate catalyzed by basic, nanoparticulate magnesium oxide leading to α-diazo-β-hydroxyesters.

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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