4-Chloroanisole (HCID 12167)

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 4-Chloroanisole
IUPAC: 1-chloro-4-methoxybenzene
Lokaler Name: 4-Chloranisol
Englischer Name: 4-Chloroanisole
Summenformel: C7H7ClO
Molmasse: 142.58

Namen und Synonyme

4-Chloroanisole1-Chloro-4-methoxybenzene623-12-1P-CHLOROANISOLEBenzene, 1-chloro-4-methoxy-p-Chlorophenyl methyl etherAnisole, p-chloro-Anisyl chloridep-Chloromethoxybenzene4-Chlorophenol methyl ether0F18BLY08QNSC-4129

Weitere Namen anzeigen

para-Chloroanisolep-chloroanisol4-ChloroanisolChloro anisole3 4-Chloroanisole

DTXSID1060764RefChem:98541DTXCID7043295210-772-21-methoxy-4-chlorobenzene1-chloro-4-methoxy-benzene4-methoxyphenyl chlorideMFCD00000616

Datenbank-Bezeichner

CAS: 623-12-1
PubChem CID: 12167
DTXSID: DTXSID1060764
UNII: 0F18BLY08Q
EC Number: 210-772-2
Nikkaji: J96.203A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 77

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Anisoles

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Vapor Pressure0.81 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -18 °C · -18 °C (lit.)
Siedepunkt: 198 · 198-202 °C (lit.)
Dichte: 1.164 g/mL · 1.164 g/mL at 25 °C (lit.)
Dampfdruck: 1.08 hPa · 1.08hPa at 25℃
Brechungsindex: 20 · n20/D 1.535(lit.)
Flammpunkt: 173 °F · 173 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Farbe: Clear colorless to yellow
Wasserlöslichkeit: immiscible
BRN: 1858901 · 1858901
Henry's Law Constant: 5.8 · 5.8×10-2 mol/(m3Pa) at 25℃, Pfeifer et al. (2001)
Stabilität: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey: YRGAYAGBVIXNAQ-UHFFFAOYSA-N
SMILES: COc1ccc(Cl)cc1
LogP: 2.78 at · 2.78 at 25℃
CAS Datenbank: 623 · 623-12-1(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-chloro-4-methoxy-(623-12-1)
EPA chemische Informationen: 1 · Benzene, 1-chloro-4-methoxy- (623-12-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 44.4% (4 of 9) of reports.

Warning

H302 (44.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzene, 1-chloro-4-methoxy-

Status: Active Update: 15-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21462

Benzene, 1-chloro-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Peroxide Forming Chemical · 4 Einträge

p-Chloroanisole

D*: Other compounds that may form peroxides

No amount of peroxides were found in new commerically available containers

Removal of Peroxides from Ethers with Cerous Hydroxide

Hazard Classes and CategoriesAcute Tox. 4 (44.4%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2810
hs_code: 29093090
hazard_code: Xn
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1-chloro-4-methoxy-: INACTIVE

Anwendungen · 1 Eintrag

Verwenden4-Chloroanisole was found to react with Cu (II)-smectite forming a blue clay-organic complex. 4-Chloroanisole was chosen as the main test substrate for the optimisation studies as it is electronically deactivated and thus resistant to oxidative addition and consequently very reluctant to enter a catalytic manifold.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Nachgelagerte Produkte

Ethyl 4-methoxycinnamate N-(4-Methoxyphenyl)-p-anisidin 1-(4-Methoxyphenyl)pent-1-en-3-on (4-METHOXYPHENYLETHYNYL)TRIMETHYLSILANE&2-CHLORO-5-METHOXYBENZONITRILE 1-(4-METHOXYPHENYL)-1H-IMIDAZOLE Benzenamine, 4-methoxy-N,N-bis(4-methoxyphenyl)-4-CHLORO-2-FLUOROANISOLE Ethyl-4-methoxyphenylacetat 2-(4-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane 4-Methoxy-1,1'-biphenyl

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