Grundinformationen
- Standard-SMILES
Cc1cc(N)c(C)cc1N- InChIKey
BWAPJIHJXDYDPW-UHFFFAOYSA-N- Summenformel
- C8H12N2
- Durchschnittliche Molmasse
- 136,19 g/mol
- Monoisotopische Masse
- 136,10004838
Überblick
2,5-dimethyl-p-phenylenediamine is a primary arylamine that is p-xylene substituted at the 2 and 5 positions by amino groups. It is formally a reduction product of 2,5-dimethyl-1,4-benzoquinonediimine. It has a role as an allergen. It derives from a hydride of a p-xylene.
Namen und Bezeichner
- Bevorzugter Name
- 2,5-Dimethyl-p-phenylenediamine
- IUPAC
- 2,5-dimethylbenzene-1,4-diamine
- Lokaler Name
- 2,5-Dimethylbenzol-1,4-diamin
- Englischer Name
- 2,5-Dimethyl-1,4-benzenediamine
- Summenformel
- C8H12N2
- Molmasse
- 136.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
6393-01-7- PubChem CID
- 160824
- DTXSID
DTXSID10213725- ChEMBL
CHEMBL1795410- ChEBI
CHEBI:53613- UNII
- RE400VN2B4
- EC Number
- 229-003-7
- Nikkaji
- J81.211K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 52 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 99,8
Physikochemische Eigenschaften
- Schmelzpunkt
- 149 · 149-150 °C (lit.)
- Siedepunkt
- 281.1 · 281.1±35.0 °C(Predicted)
- Dichte
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Sparingly), DMSO (Slightly)
- Aggregatzustand
- Solid
- pka
- 6.14 · 6.14±0.10(Predicted)
- Farbe
- Brown to Dark Beige
- InChI
- InChI=1S/C8H12N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,9-10H2,1-2H3
- InChIKey
- BWAPJIHJXDYDPW-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(C)=C(N)C=C1C
- CAS Datenbank
- 6393 · 6393-01-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29215900
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-37/39-36/37/39
- hazard_class
- 6.1(a)
- packing_group
- II
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden2,5-Dimethyl-1,4-phenylenediamine (cas# 6393-01-7) is a useful reagent for synthesis of novel Schiff-base type conjugative polymers.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: A primary arylamine that is p-xylene substituted at the 2 and 5 positions by amino groups. It is formally a reduction product of 2,5-dimethyl-1,4-benzoquinonediimine.
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