Grundinformationen
- Standard-SMILES
Nc1ccccc1SSc1ccccc1N- InChIKey
YYYOQURZQWIILK-UHFFFAOYSA-N- Summenformel
- C12H12N2S2
- Durchschnittliche Molmasse
- 248,4 g/mol
- Monoisotopische Masse
- 248,04419038
Überblick
resin hardener
Namen und Bezeichner
- Bevorzugter Name
- Bis(2-aminophenyl) disulfide
- IUPAC
- 2-[(2-aminophenyl)disulfanyl]aniline
- Lokaler Name
- 2,2'-Dithiobis-benzolamin
- Englischer Name
- 2,2'-Diaminodiphenyl disulphide
- Summenformel
- C12H12N2S2
- Molmasse
- 248.37
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1141-88-4- PubChem CID
- 14358
- DTXSID
DTXSID2061561- ChEMBL
CHEMBL122355- UNII
- Y75Q7B8EAE
- EC Number
- 214-529-1
- Nikkaji
- J60.268J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 103 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 191
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 91 · 91-92 °C(lit.)
- Siedepunkt
- 398 · 398.0±27.0 °C(Predicted)
- Dichte
- 1.2716 · 1.2716 (rough estimate)
- Brechungsindex
- 1.57 · 1.5700 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Soluble in hot methanol- almost transparent.
- pka
- 2.81 · 2.81±0.10(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- Light yellow to Amber to Dark green
- BRN
- 914032 · 914032
- InChI
- InChI=1S/C12H12N2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2
- InChIKey
- YYYOQURZQWIILK-UHFFFAOYSA-N
- SMILES
- S(C1=CC=CC=C1N)SC1=CC=CC=C1N
- CAS Datenbank
- 1141 · 1141-88-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzenamine, 2,2'-dithiobis-(1141-88-4)
- EPA chemische Informationen
- 2 · Benzenamine, 2,2'-dithiobis- (1141-88-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (56.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 95 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenamine, 2,2'-dithiobis-
Status: Active Update: 18-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24260
Sicherheitsdaten
- F
- 10-23
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
- hs_code
- 29309090
- RTECS-Nr.
- BX9540000
- risk_code
- 41-50/53-25
- Toxizität
- mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),National Technical Information Service. Vol. AD277-689,
- hazard_code
- Xi,N,T
- safety_code
- 26-39-61-60-45
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2,2'-Diaminodiphenyl disulfide, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as a primary and secondary intermediate.
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