3,4-Dichlorophenylacetylene

HCID 44119622

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Grundinformationen

CAS: 556112-20-0
Standard-SMILES: C#Cc1ccc(Cl)c(Cl)c1
InChIKey: MJHFEHXRVNTQIL-UHFFFAOYSA-N
Summenformel: C8H4Cl2
Durchschnittliche Molmasse: 171,02 g/mol
Monoisotopische Masse: 169,9690055

Namen und Bezeichner

Bevorzugter Name: 3,4-Dichlorophenylacetylene
IUPAC: 1,2-dichloro-4-ethynylbenzene
Englischer Name: 3,4-Dichlorophenylacetylene
Summenformel: C8H4Cl2
Molmasse: 171.02

Namen und Synonyme

3,4-DichlorophenylacetyleneRefChem:485986625-339-7556112-20-01,2-dichloro-4-ethynylbenzene1,2-Dichloro-4-ethynyl-BenzeneMFCD07783046Benzene, 1,2-dichloro-4-ethynyl-DTXSID706573283,4-Dichlorophenylacetylene, 97%AB93365D84161

Weitere Namen anzeigen

3,4-DICHLORO-1-ETHYNYLBENZENE1,2-Dichloro-4-ethynylbenzene - [D94225]3,4-DICHLOROPHENYLACETYLENE ISO 9001：2015 REACH1,2-Dichloro-4-ethynylbenzene, 3,4-Dichloro-1-ethynylbenzene

EN300-1254858MJHFEHXRVNTQIL-UFT-0647186SCHEMBL2236921SCHEMBL18244904MJHFEHXRVNTQIL-UHFFFAOYSA-NGXA11220AKOS010651451

Datenbank-Bezeichner

CAS: 556112-20-0
PubChem CID: 44119622
DTXSID: DTXSID70657328
EC Number: 625-339-7
Nikkaji: J2.767.928E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 156

Physikochemische Eigenschaften

Schmelzpunkt: 38 · 38-42 °C
Siedepunkt: 225.1 · 225.1±30.0 °C(Predicted)
Dichte: 1.31 · 1.31±0.1 g/cm3(Predicted)
Flammpunkt: 96 °C · 96 °C
storage temp.: 2 · 2-8°C
Aggregatzustand: fluffy crystalline powder
Farbe: Pale orange/gold
InChI: 1S/C8H4Cl2/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H
InChIKey: MJHFEHXRVNTQIL-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1Cl)C#C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (97.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, 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 41 reports by companies from 4 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.