α-Chlor-p-xylol

1-(Chloromethyl)-4-methylbenzene · MBC · P-XYLYL CHLORIDE · P-METHYLBENZYL CHLORIDE · 1-chloromethyl-4-methyl-benzene · PXCL1 · pha-ChL · oro-p-xyL

Identifikatoren & physikalische Daten

CAS No.	104-82-5
Summenformel	C8H9Cl
Durchschnittliche Molmasse	140,61 g/mol
Monoisotopische Masse	140,03927797 g/mol
SMILES	Cc1ccc(CCl)cc1
InChIKey	DMHZDOTYAVHSEH-UHFFFAOYSA-N
PubChem CID	7722
EC No.	203-241-1
DTXSID	DTXSID2051477
Lokaler Name	α-Chlor-p-xylol

XLogP	2,9
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	1
Schwere Atome	9
Formalladung	0
Komplexität	72,6
Stoffklassen	Other Classes -> Halogenated Monoaromatics
SpringerMaterials Properties	Boiling point
Geruch	IRRITATING ODOR
Dichte	1.0512 @ 20 °C/4 °C1.062 g/mL at 25 °C(lit.)
Color/Form	LIQUID
Löslichkeit	PRACTICALLY INSOL IN WATERMISCIBLE WITH ABSOLUTE ALCOHOLSOL IN ALL PROP IN ETHERInsoluble
Siedepunkt	200-202 °C200 °C(lit.)
Decomposition	When heated to decomp ... emits toxic fumes of /hydrogen chloride/.
Dampfdruck	0.29 [mmHg]
Brechungsindex	INDEX OF REFRACTION: 1.5360 @ 17 °C/Dn20/D 1.533(lit.)
Physical Description	Fuming liquidcharacteristic odor[Merck Index]
Stability/Shelf Life	FUMING
Schmelzpunkt	4 °C(lit.)
Flammpunkt	168 °F
Lagerbedingungen	2-8°C
Aggregatzustand	Low Melting Solid or Liquid
Farbe	Colorless to white to yellow
Merck	14,10091
BRN	507387
InChI	1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3
InChIKey	DMHZDOTYAVHSEH-UHFFFAOYSA-N
SMILES	Cc1ccc(CCl)cc1
CAS Datenbank	104-82-5(CAS DataBase Reference)
NIST chemische Informationen	Benzene, 1-(chloromethyl)-4-methyl-(104-82-5)
EPA chemische Informationen	Benzene, 1-(chloromethyl)-4-methyl- (104-82-5)

GHS-Einstufung	DangerH302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 63 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids]
Regulatorische Informationen	Chemical: Benzene, 1-(chloromethyl)-4-methyl-4-Methylbenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	Powerful lachrymator[Merck Index] CorrosiveHarmful if swallowedMay cause chemical pneumonitis after inhalation of high concentrations[MSDSonline]
Hazard Classes and Categories	Acute Tox. 4 (98.4%)Flammable liquids - Category 4
Unerwünschte Wirkungen	Dermatotoxin - Skin burns.
Human Toxicity Excerpts	POWERFUL LACRIMATOR.STRONG IRRITANT TO...SKIN. /M-XYLYL CHLORIDE/
F	19
Wassergefährdungsklasse (WGK)	1
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 2922 8/PG 3
Zollcode	29036990
RTECS-Nr.	ZE4030000
R-Sätze (R)	34-36/37/38-22
Gefahrensymbole	C,Xi
hazard_note	Harmful/Corrosive/Lachrymatory
Sicherheitshinweise (S)	26-27-36/37/39-45-37/39
Gefahrenklasse	8Acute Tox. 4 OralSkin Corr. 1B
Verpackungsgruppe	III
Lagerklasse	8A - Combustible corrosive hazardous materials
Gefahrstoffdaten	104-82-5(Hazardous Substances Data)