Benzhydrylamin

Benzhydrylamine

HCID 7036CAS 91-00-9

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Grundinformationen

Standard-SMILES: NC(c1ccccc1)c1ccccc1
InChIKey: MGHPNCMVUAKAIE-UHFFFAOYSA-N
Summenformel: C13H13N
Durchschnittliche Molmasse: 183,25 g/mol
Monoisotopische Masse: 183,10479942

Namen und Bezeichner

Bevorzugter Name: Benzhydrylamine
IUPAC: diphenylmethanamine
Lokaler Name: Benzhydrylamin
Englischer Name: Benzhydrylamine
Summenformel: C13H13N
Molmasse: 183.25

Namen und Synonyme

AminodiphenylmethaneBENZHYDRYLAMINE91-00-91,1-Diphenylmethylamine4BO6ISS9DXDTXSID00238346NSC-49127RefChem:565097DTXCID20160837202-032-2diphenylmethanamine(Diphenylmethyl)amine

Weitere Namen anzeigen

AURORA KA-7667BenzyldrylamineBenzhydralaminebenzohydrylamineBenzylhydrylaminea-Phenylbenzylamine

1,1-diphenylmethanaminealpha-PhenylbenzylamineBenzenemethanamine, alpha-phenyl-alpha-PhenylbenzenemethanamineMFCD00008059Methanamine, 1,1-diphenyl-NSC 49127aminodiphenyl-methane

Datenbank-Bezeichner

CAS: 91-00-9
PubChem CID: 7036
DTXSID: DTXSID00238346
ChEMBL: CHEMBL467503
UNII: 4BO6ISS9DX
EC Number: 202-032-2
Nikkaji: J4.332J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 137

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Schmelzpunkt: 12 °C · 12 °C (lit.)
Siedepunkt: 295 °C · 295 °C (lit.)
Dichte: 1.063 g/mL · 1.063 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.595(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: Chloroform, DMSO, Methanol
Aggregatzustand: Liquid
pka: 8.41 · 8.41±0.10(Predicted)
Wichte: 1.063 · 1.063
Farbe: Clear colorless to yellow
Wasserlöslichkeit: Miscible with chloroform, dimethylsulfoxide and methanol. Slightly miscible with water.
Merck: 14 · 14,1076
BRN: 776434 · 776434
InChI: 1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
InChIKey: MGHPNCMVUAKAIE-UHFFFAOYSA-N
SMILES: NC(c1ccccc1)c2ccccc2
CAS Datenbank: 91 · 91-00-9(CAS DataBase Reference)
NIST chemische Informationen: Aminodiphenylmethane(91-00-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 26-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20460

Benzenemethanamine, .alpha.-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (98.1%)

Sicherheitsdaten

F: 9-23
wgk: 3
ridadr: 2810
hs_code: 29214990
RTECS-Nr.: DA4407300
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
hazard_class: 8
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenBenzhydrylamine is fine-chemical intermediate used for chiral resolution. It acts as an active pharmaceutical ingredient intermediate. It is also employed as a building block for chemical synthesis. Further, it is used in the preparation of furan-2-carboxylic acid benzhydrylamide by reacting with furan-2-carbonyl chloride.