(2-Nitrophenyl)methanamine hydrochloride

HCID 12235442

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Grundinformationen

CAS: 24835-08-3
Standard-SMILES: Cl.NCc1ccccc1[N+](=O)[O-]
InChIKey: BASJTVIZZDEQBJ-UHFFFAOYSA-N
Summenformel: C7H9ClN2O2
Durchschnittliche Molmasse: 188,61 g/mol
Monoisotopische Masse: 188,03525521

Namen und Bezeichner

Bevorzugter Name: (2-Nitrophenyl)methanamine hydrochloride
IUPAC: (2-nitrophenyl)methanamine;hydrochloride
Englischer Name: 2-Nitrobenzylamine hydrochloride
Summenformel: C7H9ClN2O2
Molmasse: 188.61

Namen und Synonyme

(2-nitrophenyl)methanamine hydrochlorideRefChem:396172627-988-124835-08-32-Nitrobenzylamine hydrochloride2-Nitrobenzyl amine HClMFCD001362802-Nitrobenzylamine HCl(2-nitrophenyl)methanamine;hydrochlorideBenzenemethanamine, 2-nitro-, hydrochloride (1:1)(2-nitrophenyl)methanamine,hydrochloride(2-Nitrophenyl)meth

Weitere Namen anzeigen

2-NitrobenzylamineHCl2-Nitro-benzenemethanamine HCl2-Nitrobenzenemethanamine hydrochloride2-nitro-Benzenemethanamine hydrochloride (1:1)(2-Nitrophenyl)methanamine hydrochloride - [N89012]2-NITROBENZYLAMINE HYDROCHLORIDE ISO 9001：2015 REACH

(2-Nitrophenyl)methanaminehydrochlorideBenzenemethanamine, 2-nitro-, monohydrochlorideSCHEMBL117725o-Nitrobenzylamine hydrochloride2-Nitrobenzyl amine hydrochlorideDTXSID80481717NSC158602AKOS007930527

Datenbank-Bezeichner

CAS: 24835-08-3
PubChem CID: 12235442
DTXSID: DTXSID80481717
EC Number: 627-988-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 71,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 144

Physikochemische Eigenschaften

Schmelzpunkt: 247 °C · 247 °C (dec.)(lit.)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
InChI: InChI=1S/C7H8N2O2.ClH/c8-5-6-3-1-2-4-7(6)9(10)11;/h1-4H,5,8H2;1H
InChIKey: BASJTVIZZDEQBJ-UHFFFAOYSA-N
SMILES: C1(CN)=CC=CC=C1[N+]([O-])=O.Cl
CAS Datenbank: 24835 · 24835-08-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2921490090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Nitrobenzylamine hydrochloride may be used in chemical synthesis studies. Also reactant involved in synthesis of tetrahydroisoquinolines via Heck-aza-Michael reactions, aminomethylphenylamine scaffolds for factor Xa inhibition, squaryliamides for mannosyltransferase inhibition and fluorescent two-photon absorption benzothiadiazole dyes.