CAS 25100-12-3 N-Cyclohexylhydroxylamine hydrochloride (HCID 3084432)

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Grundinformationen

CAS: 25100-12-3
Standard-SMILES: Cl.ONC1CCCCC1
InChIKey: SSVAHXZUFFSFER-UHFFFAOYSA-N
Summenformel: C6H14ClNO
Durchschnittliche Molmasse: 151,63 g/mol
Monoisotopische Masse: 151,0763918

Namen und Bezeichner

Bevorzugter Name: N-Cyclohexylhydroxylamine hydrochloride
IUPAC: N-cyclohexylhydroxylamine;hydrochloride
Lokaler Name: Cyclohexylhydroxylaminhydrochlorid
Englischer Name: N-Cyclohexylhydroxylamine hydrochloride
Summenformel: C6H14ClNO
Molmasse: 151.63

Namen und Synonyme

N-Cyclohexylhydroxylamine hydrochlorideCyclohexylhydroxylamine hydrochlorideCyclohexylhydroxylamine HClUNII-R98VSP3T5LR98VSP3T5LEINECS 246-612-3CYCLOHEXYLHYDROXYLAMMONIUM CHLORIDEDTXSID80179788Cyclohexanamine, N-hydroxy-, hydrochlorideN-HYDROXYCYCLOHEXANAMINE HYDROCHLORIDEHYDROXYLAMINE, N-CYCLOHEXYL-, HYDROCHLORIDECYCLOHEXANAMINE, N-HYDROXY-, HYDROCHLORIDE (1:1)

Weitere Namen anzeigen

Propanedinitrile,2-(2,3-dihydro-1H-inden-1-ylidene)-

RefChem:163160DTXCID4010227925100-12-3MFCD00012565N-cyclohexylhydroxylamine;hydrochlorideCyclohexylhydroxylamineHClN-Cyclohexyl-hydroxylaMine HClSCHEMBL1451195

Datenbank-Bezeichner

CAS: 25100-12-3
PubChem CID: 3084432
DTXSID: DTXSID80179788
UNII: R98VSP3T5L
EC Number: 246-612-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 59

Physikochemische Eigenschaften

Schmelzpunkt: 166 · 166-171 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder
Wasserlöslichkeit: Soluble in water.
BRN: 3672798 · 3672798
InChI: 1S/C6H13NO.ClH/c8-7-6-4-2-1-3-5-6;/h6-8H,1-5H2;1H
InChIKey: SSVAHXZUFFSFER-UHFFFAOYSA-N
SMILES: Cl.ONC1CCCCC1
CAS Datenbank: 25100 · 25100-12-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (90.7%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (90.7%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
risk_code: 36/37/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-Cyclohexylhydroxylamine hydrochloride is used in the preparation of 4-carbethoxy-2-cyclohexyl-5-(2H)-isoxazolone and hexahydroisoxazolequinoline analogs. It is also used in the preparation of N-cyclohexyl nitrone by reaction with aldehyde. Further, it acts as a hydroxylamination reagent for allyl esters. In addition to this, it serves as a reagent in the conversion of 1,2-dicarboxylic acids to alfa-beta-unsaturated carboxylic acids.