Grundinformationen
- Standard-SMILES
Nc1cccc(Cc2cccc(N)c2)c1- InChIKey
CKOFBUUFHALZGK-UHFFFAOYSA-N- Summenformel
- C13H14N2
- Durchschnittliche Molmasse
- 198,26 g/mol
- Monoisotopische Masse
- 198,11569845
Namen und Bezeichner
- Bevorzugter Name
- Benzenamine, 3,3'-methylenebis-
- IUPAC
- 3-[(3-aminophenyl)methyl]aniline
- Englischer Name
- 3,3'-Diaminodiphenylmethane
- Summenformel
- C13H14N2
- Molmasse
- 198.26
Namen und Synonyme
19471-12-63,3'-MethylenedianilineBenzenamine, 3,3'-methylenebis-DTXSID30173110RefChem:561705DTXCID2095601624-884-83,3'-Diaminodiphenylmethane3-[(3-aminophenyl)methyl]aniline3-(3-Aminobenzyl)phenylamineMFCD000147773,3'-methylene dianiline
Weitere Namen anzeigen
3,3'-MDA3,3'-Methylenebisaniline3,3'-Methylenedianiline 97%3,3'-Methylenebis(benzenamine)3,3-DIAMINODIPHENYLMETHANE 97%
3,3'-Methylenedianiline, 97%3,3/'-DIAMINODIPHENYLMETHANET70503AR-299/426564133-[(3-aminophenyl)methyl]phenylamine3,3'-DiaminodiphenylmFT-0614040A813743
Datenbank-Bezeichner
- CAS
19471-12-6- PubChem CID
- 146486
- DTXSID
DTXSID30173110- ChEMBL
CHEMBL594420- EC Number
- 624-884-8
- Nikkaji
- J82.868H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 52 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 173
Physikochemische Eigenschaften
- Schmelzpunkt
- 81 · 81-84 °C(lit.)
- Siedepunkt
- 192 · 192-195 °C(Press: 2 Torr)
- Dichte
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 4.82 · 4.82±0.10(Predicted)
- Farbe
- White to Pale Yellow
- BRN
- 2100449 · 2100449
- InChI
- 1S/C13H14N2/c14-12-5-1-3-10(8-12)7-11-4-2-6-13(15)9-11/h1-6,8-9H,7,14-15H2
- InChIKey
- CKOFBUUFHALZGK-UHFFFAOYSA-N
- SMILES
- Nc1cccc(Cc2cccc(N)c2)c1
- CAS Datenbank
- 19471 · 19471-12-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 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 CategoriesAcute Tox. 4 (97.8%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2811
- hs_code
- 2921.59.8090
- risk_code
- 20/21/22-36/37/38-40
- hazard_code
- Xn,T
- safety_code
- 7-22-26-37/39
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
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