p-Chlorbenzotrichlorid

α,α,α,4-tetrachlorotoluene · PCTC · orobenzotrichL · Tetrachlorotoluene · 4-Chlorobenzotrichlo · 4-Chlorbenzotrichlorid · p-Chlorbenzotrichlorid · 4-chlorobenzotrichlorid

https://huagongshe.com/de/chemical/21277

Molekülstruktur von p-Chlorbenzotrichlorid

Identifikatoren & physikalische Daten

CAS No.	5216-25-1
Summenformel	C7H4Cl4
Durchschnittliche Molmasse	229,9 g/mol
Monoisotopische Masse	227,90671085 g/mol
SMILES	Clc1ccc(C(Cl)(Cl)Cl)cc1
InChIKey	LVZPKYYPPLUECL-UHFFFAOYSA-N
PubChem CID	21277
ChEMBL	CHEMBL2137820
EC No.	226-009-1
DTXSID	DTXSID2027593
Lokaler Name	p-Chlorbenzotrichlorid

Chemische & physikalische Eigenschaften

XLogP	4,6
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	121
Stoffklassen	Other Classes -> Halogenated Monoaromatics
SpringerMaterials Properties	Density
Siedepunkt	473 °F at 760 mmHg (NTP, 1992)245 °C(lit.)
Dampfdruck	0.03 [mmHg]
Physical Description	Alpha, alpha, alpha, para-tetrachlorotoluene is a clear colorless liquid.Colorless to yellow liquid[MSDSonline]
Schmelzpunkt	5.8 °C
Dichte	1.495 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.572(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	Storage temp. 2-8°C
Löslichkeit	Chloroform (Sparingly), DMSO (Sparingly)decomposes
Aggregatzustand	clear liquid
Farbe	Colorless to Light yellow
BRN	1866549
Henry-Konstante	5.1×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
Stabilität	Stable. Combustible. Incompatible with strong oxidizing agents.
CAS Datenbank	5216-25-1(CAS DataBase Reference)
NIST chemische Informationen	Benzene, 1-chloro-4-(trichloromethyl)-(5216-25-1)
EPA chemische Informationen	4-Chlorobenzotrichloride (5216-25-1)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)H302+H312 (44.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Regulatorische Informationen	Chemical: Benzene, 1-chloro-4-(trichloromethyl)-Hazard Traits - CarcinogenicityStatus: Active Update: 26-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2193
Weitere Sicherheitsinformationen	IMAP assessments - Benzene, 1-chloro-4-(trichloromethyl)-: Human health tier II assessment
DOT-Kennzeichnung	Corrosive
Brandgefahren	Flash point data for this compound are not available, however, it is probably combustible. (NTP, 1992)
Gesundheitsgefahren	ACUTE/CHRONIC HAZARDS: CorrosiveLachrymator. (NTP, 1992)
Gefahrenübersicht	Lachrymator[CAMEO] A skin and respiratory tract irritant[ESIS] An irritantHarmful if skin contact or ingestedMay cause chemical pneumonitis after inhalation of high concentrationsMay cause cancer based on animal evidence[MSDSonline]
Reaktive Gruppe	Halogenated Organic Compounds
Reactivity Profile	Simple aromatic halogenated organic compounds, such as ALPHA, ALPHA, ALPHA, PARA-TETRACHLOROTOLUENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

Anwendungen & Verwendung

Verwenden

4-Chlorobenzotrichloride is a useful reactant in organic synthesis.