1,1,2,4,4-Pentachlorobuta-1,3-diene

1,1,3,4,4-Pentachloro-1,3-butadiene · 1,1,2,4,4-pentachlorobuta-1,3-diene · 1,3-Butadiene, 1,1,2,4,4-pentachloro-

https://huagongshe.com/de/chemical/41650

Molekülstruktur von 1,1,2,4,4-Pentachlorobuta-1,3-diene

Identifikatoren & physikalische Daten

CAS No.	21400-41-9
Summenformel	C4HCl5
Durchschnittliche Molmasse	226,3 g/mol
Monoisotopische Masse	223,85208843 g/mol
SMILES	ClC(Cl)=CC(Cl)=C(Cl)Cl
InChIKey	WVFBDVFCOCLEFM-UHFFFAOYSA-N
PubChem CID	41650
EC No.	633-498-9
DTXSID	DTXSID80943961

Chemische & physikalische Eigenschaften

XLogP	4,5
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	1
Schwere Atome	9
Formalladung	0
Komplexität	148
Siedepunkt	54-55 °C(Press: 3.5 Torr)
Dichte	1.6159 g/cm3

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (100%)

GHS-Einstufung

DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 3 (100%)