N,N'-Diphenylformamidin

N,N'-Diphenylformamidine

HCID 94888CAS 622-15-1

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Grundinformationen

Standard-SMILES: C(=Nc1ccccc1)Nc1ccccc1
InChIKey: ZQUVDXMUKIVNOW-UHFFFAOYSA-N
Summenformel: C13H12N2
Durchschnittliche Molmasse: 196,25 g/mol
Monoisotopische Masse: 196,10004839

Namen und Bezeichner

Bevorzugter Name: N,N'-Diphenylformamidine
IUPAC: N,N'-diphenylmethanimidamide
Lokaler Name: N,N'-Diphenylformamidin
Englischer Name: N,N'-Diphenylformamidine
Summenformel: C13H12N2
Molmasse: 196.25

Namen und Synonyme

N,N'-DiphenylformamidineN,N'-DiphenylmethanimidamideMethanimidamide, N,N'-diphenyl-N,N'-DiphenylformamideneN,N'-DiphenymethanimidamideEINECS 210-720-9AI3-01807NSC 6789DTXSID8060745RefChem:161024DTXCID1043257Formamidine, N,N'-diphenyl-(6CI,7CI,8CI)

Weitere Namen anzeigen

DIPHENYLFORMAMIDINELABOTEST-BB LTBB000577N’N-Diphenylformamidinen,n’-diphenyl-formamidinn,n’-diphenylformamidenen,n′-diphenylformamidineN1,N2-diphenylformamidine

210-720-9ZQUVDXMUKIVNOW-UHFFFAOYSA-N622-15-1N,N'-Diphenylformimidamide(E)-N,N'-diphenylformimidamideMFCD00003026Formamidine, N,N'-diphenyl-148651-26-7

Datenbank-Bezeichner

CAS: 622-15-1
PubChem CID: 94888
DTXSID: DTXSID8060745
UNII: 8KKX998CU5
EC Number: 210-720-9
Nikkaji: J3.734.572E、J37.751A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 24,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 189

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1933

Physikochemische Eigenschaften

Schmelzpunkt: 136 · 136-139 °C(lit.)
Siedepunkt: 323.14 °C · 323.14°C (rough estimate)
Dichte: 1.1265 · 1.1265 (rough estimate)
Brechungsindex: 1.5014 · 1.5014 (estimate)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder or Crystals
pka: 7.7 · 7.70±0.10(Predicted)
Farbe: White to yellow to beige
BRN: 511953 · 511953
InChI: 1S/C13H12N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-11H,(H,14,15)
InChIKey: ZQUVDXMUKIVNOW-UHFFFAOYSA-N
SMILES: N(\C=N\c1ccccc1)c2ccccc2
CAS Datenbank: 622 · 622-15-1(CAS DataBase Reference)
NIST chemische Informationen: N,n'-diphenylformamidine(622-15-1)
EPA chemische Informationen: N,N'-Diphenylformamidine (622-15-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (57.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (57.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (57.1%): 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+P351+P338, P317, 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 7 reports by companies from 2 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 (100%)

Sicherheitsdaten

F: 10-21
wgk: 3
tsca: TSCA listed
hs_code: 29215900
RTECS-Nr.: PB7705000
risk_code: 22
hazard_code: Xn
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationMethanimidamide, N,N'-diphenyl-: ACTIVE

Anwendungen

VerwendenN,N''-Diphenylformamidine is used in the preparation of polyfluoro benzoxazole polymethine dyes which are used as fluorescent labels for biomolecules.