O-Benzylhydroxylaminhydrochlorid

Benzyloxyamine hydrochloride

HCID 102312CAS 2687-43-6

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Grundinformationen

Standard-SMILES: Cl.NOCc1ccccc1
InChIKey: HYDZPXNVHXJHBG-UHFFFAOYSA-N
Summenformel: C7H10ClNO
Durchschnittliche Molmasse: 159,61 g/mol
Monoisotopische Masse: 159,04509162

Namen und Bezeichner

Bevorzugter Name: Benzyloxyamine hydrochloride
IUPAC: O-benzylhydroxylamine;hydrochloride
Lokaler Name: O-Benzylhydroxylaminhydrochlorid
Englischer Name: O-Benzylhydroxylamine hydrochloride
Summenformel: C7H10ClNO
Molmasse: 159.61

Namen und Synonyme

Benzyloxyamine hydrochlorideRefChem:167150O-Benzylhydroxylamine hydrochloride2687-43-6benzylhydroxylamine hydrochlorideO-Benzylhydroxylamine HClMFCD00012952O-Benzyl-hydroxylamine hydrochlorideO-benzylhydroxylamine;hydrochlorideHydroxylamine, O-(phenylmethyl)-, hydrochlorideHydroxylamine, O-benzyl-, hydrochlorideEINECS 220-249-0

Weitere Namen anzeigen

O-BenzyLBENZYLOXYAMINEO-Benzyloxyamine hydrochlorideBzHA.HClBENZYLOXYAMINE HCLTIMTEC-BB SBB003971α-benzylhydroxylmine

O-Benzylhydroxylamine (hydrochloride)BnONH2HClBnONH2-HClSCHEMBL1289370-benzyl hydroxylamine hydrochlorideNSC-4248STR06086SB76532

Datenbank-Bezeichner

CAS: 2687-43-6
PubChem CID: 102312
DTXSID: DTXSID40181382
ChEMBL: CHEMBL5173536
UNII: R2PS86C3BE
EC Number: 220-249-0

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 69,3

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Hydroxylamines

Physical DescriptionWhite hygroscopic powder or flakes; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 238 °C · 238 °C (subl.)(lit.)
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: Soluble in DMSO and methanol.
Aggregatzustand: Crystalline Powder or Flakes
Farbe: White to almost white
PH: 2.2 · 2.2~3.2 (10g/l, 25℃)
BRN: 3595440 · 3595440
InChI: InChI=1S/C7H9NO.ClH/c8-9-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
InChIKey: HYDZPXNVHXJHBG-UHFFFAOYSA-N
SMILES: C1(CON)=CC=CC=C1.Cl
CAS Datenbank: 2687 · 2687-43-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 9.1% (1 of 11) of reports.

Warning

H315 (90.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationHydroxylamine, O-(phenylmethyl)-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 250 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Benzyloxyamine.

Hazard Classes and CategoriesSkin Irrit. 2 (90.9%)