Grundinformationen
- Standard-SMILES
Cc1cc(Cl)c(C)cc1Cl- InChIKey
UTGSRNVBAFCOEU-UHFFFAOYSA-N- Summenformel
- C8H8Cl2
- Durchschnittliche Molmasse
- 175,05 g/mol
- Monoisotopische Masse
- 174,0003056
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Dichloro-2,5-dimethylbenzene
- IUPAC
- 1,4-dichloro-2,5-dimethylbenzene
- Lokaler Name
- 2,5-Dichlor-p-xylol
- Englischer Name
- 2,5-Dichloro-p-xylene
- Summenformel
- C8H8Cl2
- Molmasse
- 175.06
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1124-05-6- PubChem CID
- 70755
- DTXSID
DTXSID5044780- ChEMBL
CHEMBL3185647- UNII
- 7P8M86ZOB2
- EC Number
- 214-387-0
- Nikkaji
- J80.174G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 99
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
1218
1220;1242;1215
Physikochemische Eigenschaften
- Schmelzpunkt
- 69 · 69-70 °C (lit.)
- Siedepunkt
- 222 °C · 222 °C (lit.)
- Dichte
- 1.252 · 1.2520 (estimate)
- Brechungsindex
- 1.5544 · 1.5544 (estimate)
- Flammpunkt
- 221 · 221-223°C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Sparingly), DMSO (Slightly, Heated), Hexanes (Slightly), Methanol
- Aggregatzustand
- Solid
- Farbe
- White to Pale Yellow
- Henry's Law Constant
- 2.7 · 2.7×10-3 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- 1S/C8H8Cl2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
- InChIKey
- UTGSRNVBAFCOEU-UHFFFAOYSA-N
- SMILES
- Cc1cc(Cl)c(C)cc1Cl
- CAS Datenbank
- 1124 · 1124-05-6(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1,4-dichloro-2,5-dimethyl-(1124-05-6)
- EPA chemische Informationen
- 2 · 2,5-Dichloro-p-xylene (1124-05-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2903.99.8001
- risk_code
- 36/37/38
- safety_code
- 26-37
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2,5-Dichloro-1,4-dimethylbenzene can be used to produce phototropic photosensitive composition containing fluoran colorformer.
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