Grundinformationen
- Standard-SMILES
Cc1ccccc1CCl- InChIKey
VQRBXYBBGHOGFT-UHFFFAOYSA-N- Summenformel
- C8H9Cl
- Durchschnittliche Molmasse
- 140,61 g/mol
- Monoisotopische Masse
- 140,03927797
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- alpha-Chloro-o-xylene
- IUPAC
- 1-(chloromethyl)-2-methylbenzene
- Lokaler Name
- α-Chlor-o-xylol
- Englischer Name
- 2-Methylbenzyl chloride
- Summenformel
- C8H9Cl
- Molmasse
- 140.61
Namen und Synonyme
2-Methylbenzyl chloride1-(Chloromethyl)-2-methylbenzeneALPHA-CHLORO-O-XYLENEo-Methylbenzyl chlorideBenzene, 1-(chloromethyl)-2-methyl-DTXSID5044441.alpha.-Chloro-o-xyleneUNII-EQT3V044TWEQT3V044TWHSDB 2681EINECS 209-013-8.alpha.-Chloro-ortho-xylene
Weitere Namen anzeigen
2-methylbenzylMBCOXCL12-MBCO-XYLYL CHLORIDEAKOS BBS-00003859A-CHLORO-O-XYLENEà-chloro-o-xylene
1-methyl-2-chloromethylbenzene99765-61-4DTXCID3024441oXylyl chlorideomegaChlorooxyleneoXylylalphachlorideoXylene, alphachlorooMethylbenzyl chloride
Datenbank-Bezeichner
- CAS
552-45-4、99765-61-4- PubChem CID
- 11093
- DTXSID
DTXSID5044441- ChEMBL
CHEMBL3183322- UNII
- EQT3V044TW
- EC Number
- 209-013-8
- Nikkaji
- J2.652B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 80,6
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Color/FormLIQUID
Solubility
PRACTICALLY INSOL IN WATER; MISCIBLE WITH ABSOLUTE ALCOHOL
SOL IN ALL PROP WITH ACETONE, ETHER
Flash Point165 °F
Boiling Point195-203 °C
DecompositionSEE 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/
Refractive Index
INDEX OF REFRACTION: 1.5391 @ 20 °C/D
INDEX OF REFRACTION: 1.5410 @ 20 °C/D
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- -2 °C · -2 °C
- Siedepunkt
- 197 · 197-199 °C(lit.)
- Dichte
- 1.063 g/mL · 1.063 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.541(lit.)
- Flammpunkt
- 165 °F · 165 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- soluble in Ether
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to light yellow
- Merck
- 14 · 14,10091
- BRN
- 386016 · 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 · 552-45-4(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1-(chloromethyl)-2-methyl-(552-45-4)
- EPA chemische Informationen
- o-(Chloromethyl)toluene (552-45-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H290 (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.
Warning
H227: Combustible liquid [Warning Flammable liquids]
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, 1-(chloromethyl)-2-methyl-
Status: Active Update: 14-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21327
DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards SummaryPowerful lachrymator; [Merck Index] Toxic by inhalation, ingestion, and skin absorption; [CAMEO] Corrosive; Causes burns; May cause chemical pneumonitis after inhalation of high concentrations; [MSDSonline]
Reactive GroupHalogenated Organic Compounds
Reactivity ProfileO-METHYLBENZYL CHLORIDE is rapidly decomposed when heated in the presence of iron.
Air and Water ReactionsBecause 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
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
First AidExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity Excerpts
/IT IS A/ POWERFUL LACRIMATOR.
STRONG IRRITANT TO...SKIN. /M-XYLYL CHLORIDE/
Sicherheitsdaten
- F
- 19
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29036990
- risk_code
- 34-36/37/38-22
- hazard_code
- C,Xn
- hazard_note
- Harmful/Corrosive
- safety_code
- 26-36/37/39-45-37/39
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Giftige Stoffe Daten
- 552-45-4(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
Uses
Used to make nematocides; [HSDB]
XYLENE DERIVATIVES AS NEMATOCIDES
Methods of Manufacturing...SIMILAR TO THAT OF M-ISOMER: RABJOHN, J AM CHEM SOC 76, 5479 (1954). /M-XYLYL CHLORIDE IS PREPARED FROM M-XYLENE & SULFURYL CHLORIDE: VAN ZANTEN, NAUTA, REC TRAV CHIM 79, 1211 (1960)./
General Manufacturing InformationBenzene, 1-(chloromethyl)-2-methyl-: ACTIVE
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