1-Chloro-2,3-dimethylbenzene

HCID 32884CAS 25323-41-5

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Grundinformationen

Standard-SMILES: Cc1cccc(Cl)c1C
InChIKey: NVLHGZIXTRYOKT-UHFFFAOYSA-N
Summenformel: C8H9Cl
Durchschnittliche Molmasse: 140,61 g/mol
Monoisotopische Masse: 140,03927797

Namen und Bezeichner

Bevorzugter Name: 1-Chloro-2,3-dimethylbenzene
IUPAC: 1-chloro-2,3-dimethylbenzene
Englischer Name: 3-Chloro-o-xylene
Summenformel: C8H9Cl
Molmasse: 140.61

Namen und Synonyme

1-chloro-2,3-dimethylbenzene608-23-1NVLHGZIXTRYOKT-UHFFFAOYSA-RefChem:431164480-880-4612-040-1InChI=1/C8H9Cl/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H33-Chloro-o-xylene2,3-Dimethylchlorobenzene3-Chloro-1,2-dimethylbenzeneMFCD0006068925323-41-5

Weitere Namen anzeigen

1-Chloro-o-xylene3-Chloroxylene,97%3-Chloroxylene, 97%3-Chloro-o-xylene >2,3-Dimethylcholrobenzene3-Chloro-o-dimethylbenzene

Benzene, 1-chloro-2,3-dimethyl-Benzene, chlorodimethyl-xylyl chloride3-CHLORO-ORTHO-XYLENEchloro o-xyleneMono-Chlorxylol1-chloro-2,3-dimethyl-benzenechloro-ortho-xylene

Datenbank-Bezeichner

CAS: 25323-41-5、608-23-1
PubChem CID: 32884
DTXSID: DTXSID501031403
EC Number: 480-880-4、612-040-1
Nikkaji: J31.764K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 90,6

Physikochemische Eigenschaften

Schmelzpunkt: -41.95 °C · -41.95°C (estimate)
Siedepunkt: 194 °C · 194 °C(lit.)
Dichte: 1.1 g/mL · 1.1 g/mL at 25 °C(lit.)
Dampfdruck: 64.9 Pa · 64.9Pa at 20℃
Brechungsindex: 20 · n20/D 1.532(lit.)
Flammpunkt: 164 °F · 164 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Wichte: 1.06 · 1.06
Wasserlöslichkeit: 20.1 mg/L · 20.1mg/L at 24℃
InChI: 1S/C8H9Cl/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChIKey: NVLHGZIXTRYOKT-UHFFFAOYSA-N
SMILES: Cc1cccc(Cl)c1C
LogP: 4.1 at · 4.1 at 23℃
CAS Datenbank: 608 · 608-23-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 16-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25181

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (85.7%)

Skin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2903998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

Verwenden3-Chloro-o-xylene, is used as a reagent in the preparation of internal alkynes by palladacycle-catalyzed decarboxlative coupling of alkynyl carboxylic acids with aryl chlorides.