Grundinformationen
- Standard-SMILES
Cc1cccc(CCl)c1- InChIKey
LZBOHNCMCCSTJX-UHFFFAOYSA-N- Summenformel
- C8H9Cl
- Durchschnittliche Molmasse
- 140,61 g/mol
- Monoisotopische Masse
- 140,03927797
Namen und Bezeichner
- Bevorzugter Name
- m-Xylyl chloride
- IUPAC
- 1-(chloromethyl)-3-methylbenzene
- Lokaler Name
- α-Chlor-m-xylol
- Englischer Name
- 3-Methylbenzyl chloride
- Summenformel
- C8H9Cl
- Molmasse
- 140.61
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
620-19-9- PubChem CID
- 12102
- DTXSID
DTXSID60211034- UNII
- 771291VTT8
- EC Number
- 210-628-9
- Nikkaji
- J1.671C
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
Physikochemische Eigenschaften
- Schmelzpunkt
- -41.95 °C · -41.95°C (estimate)
- Siedepunkt
- 195 · 195-196 °C(lit.)
- Dichte
- 1.064 g/mL · 1.064 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.535(lit.)
- Flammpunkt
- 168 °F · 168 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to slightly yellow
- Wasserlöslichkeit
- Insoluble
- Merck
- 14 · 14,10091
- BRN
- 2040357 · 2040357
- InChI
- InChI=1S/C8H9Cl/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3
- InChIKey
- LZBOHNCMCCSTJX-UHFFFAOYSA-N
- SMILES
- C1(CCl)=CC=CC(C)=C1
- CAS Datenbank
- 620 · 620-19-9(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1-(chloromethyl)-3-methyl-(620-19-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (36.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 74 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, 1-(chloromethyl)-3-methyl-
Benzene, 1-(chloromethyl)-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-(chloromethyl)-3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
3-Methylbenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29036990
- risk_code
- 34-36/37-36/37/38
- hazard_code
- C,Xi
- hazard_note
- Irritant/Corrosive
- safety_code
- 23-26-27-36/37/39-45-37/39
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1BSTOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzene, 1-(chloromethyl)-3-methyl-: ACTIVE
Anwendungen
Verwenden3-Methylbenzyl chloride is used as an organic light-emitting diode and as an intermediate in organic synthesis.
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