α-Chlor-o-xylol

1-(CHLOROMETHYL)-2-METHYLBENZENE · ALPHA-CHLORO-O-XYLENE · 2-methylbenzyl · MBC · OXCL1 · 2-MBC · O-XYLYL CHLORIDE · AKOS BBS-00003859

https://huagongshe.com/de/chemical/11093

Identifikatoren & physikalische Daten

CAS No.	552-45-4
Summenformel	C8H9Cl
Durchschnittliche Molmasse	140,61 g/mol
Monoisotopische Masse	140,03927797 g/mol
SMILES	Cc1ccccc1CCl
InChIKey	VQRBXYBBGHOGFT-UHFFFAOYSA-N
PubChem CID	11093
ChEMBL	CHEMBL3183322
EC No.	209-013-8
DTXSID	DTXSID5044441
Lokaler Name	α-Chlor-o-xylol

Chemische & physikalische Eigenschaften

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	80,6
Stoffklassen	Other Classes -> Halogenated Monoaromatics
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
Color/Form	LIQUID
Löslichkeit	PRACTICALLY INSOL IN WATERMISCIBLE WITH ABSOLUTE ALCOHOLSOL IN ALL PROP WITH ACETONE, ETHERsoluble in Ether
Flammpunkt	165 °F
Siedepunkt	195-203 °C197-199 °C(lit.)
Decomposition	SEE M-XYLYL CHLORIDE. DANGEROUS... /M-XYLYL CHLORIDE/. SEE CHLORIDES. ...WHEN HEATED TO DECOMP OR ON CONTACT WITH ACIDS OR ACID FUMES THEY EVOLVE HIGHLY TOXIC CHLORIDE FUMES. SOME ORG CHLORIDES DECOMP TO YIELD PHOSGENE. /CHLORIDES/
Brechungsindex	INDEX OF REFRACTION: 1.5391 @ 20 °C/DINDEX OF REFRACTION: 1.5410 @ 20 °C/Dn20/D 1.541(lit.)
Physical Description	O-methylbenzyl chloride appears as a colorless to pale-yellow colored liquid with a pungent odor. Insoluble in water. Slightly denser than water. Contact may irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.A colorless to pale-yellow colored liquid with a pungent odor[CAMEO]
Schmelzpunkt	-2 °C
Dichte	1.063 g/mL at 25 °C(lit.)
Lagerbedingungen	2-8°C
Aggregatzustand	Liquid
Farbe	Clear colorless to light yellow
Merck	14,10091
BRN	386016
Stabilität	Stable. Combustible. Incompatible with strong oxidizing agents, bases, alcohols, amines. Corrodes steel.
InChI	1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
InChIKey	VQRBXYBBGHOGFT-UHFFFAOYSA-N
SMILES	Cc1ccccc1CCl
CAS Datenbank	552-45-4(CAS DataBase Reference)
NIST chemische Informationen	Benzene, 1-(chloromethyl)-2-methyl-(552-45-4)
EPA chemische Informationen	o-(Chloromethyl)toluene (552-45-4)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH290 (76.4%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 191 reports by companies from 9 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)-2-methyl-Status: Active Update: 14-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21327
DOT-Kennzeichnung	Combustible Liquid
Brandgefahren	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Gesundheitsgefahren	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Gefahrenübersicht	Powerful lachrymator[Merck Index] Toxic by inhalation, ingestion, and skin absorption[CAMEO] CorrosiveCauses burnsMay cause chemical pneumonitis after inhalation of high concentrations[MSDSonline]
Reaktive Gruppe	Halogenated Organic Compounds
Reactivity Profile	O-METHYLBENZYL CHLORIDE is rapidly decomposed when heated in the presence of iron.
Air and Water Reactions	Because of its insolubility it doesn't react vigorously with water, although it does generate annoying levels of hydrogen chloride fumes.
Hazard Classes and Categories	Met. Corr. 1 (76.4%)Flammable liquids - Category 4
Brandbekämpfung	Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: