3-Fluortoluol

M-FLUOROTOLUENE · 1-FLUORO-3-METHYLBENZENE · 3-FLUOROBENZENE · 3-Fluortoluol · JACS-352-70-5 · Fluorotoluene2 · m-Fluro Toluene · 3-FLUOROTOLUENE

https://huagongshe.com/de/chemical/9606

Identifikatoren & physikalische Daten

CAS No.	2599-73-7
Summenformel	C7H7F
Durchschnittliche Molmasse	110,13 g/mol
Monoisotopische Masse	110,05317844 g/mol
SMILES	Cc1cccc(F)c1
InChIKey	BTQZKHUEUDPRST-UHFFFAOYSA-N
PubChem CID	9606
ChEMBL	CHEMBL345698
EC No.	206-524-8
DTXSID	DTXSID2059855
Lokaler Name	3-Fluortoluol

Chemische & physikalische Eigenschaften

XLogP	2,7
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	8
Formalladung	0
Komplexität	70,8
Stoffklassen	Other Classes -> Halogenated Monoaromatics
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
Dichte	0.9986 at 68 °F (USCG, 1999) - Less dense than waterwill float0.991 g/mL at 25 °C(lit.)
Flammpunkt	49 °F (USCG, 1999)
Siedepunkt	240.8 °F at 760 mmHg (USCG, 1999)115 °C(lit.)
Schmelzpunkt	-125.9 °F (USCG, 1999)-87 °C
Dampfdruck	42.39 mmHg (USCG, 1999)21.8 [mmHg]
Physical Description	3-fluorotoluene appears as a colorless liquid with an aromatic odor. Boiling point 239 °C. Flash point 63 °F. Density 0.991 g / cm3 --- may float or sink in water. (USCG, 1999)[Merck Index] Aromatic odor[Alfa Aesar MSDS]
Brechungsindex	n20/D 1.469(lit.)
Lagerbedingungen	Store below +30°C.
Aggregatzustand	clear liquid
Farbe	Colorless to Almost colorless
Wichte	0.991
Löslichkeit	immiscible
Merck	14,4180
BRN	1903631
Dielektrizitätskonstante	5.4199999999999999
InChI	1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey	BTQZKHUEUDPRST-UHFFFAOYSA-N
SMILES	Cc1cccc(F)c1
LogP (Verteilungskoeffizient)	2.75
CAS Datenbank	352-70-5(CAS DataBase Reference)
NIST chemische Informationen	Benzene, 1-fluoro-3-methyl-(352-70-5)
EPA chemische Informationen	m-Fluorotoluene (352-70-5)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 44% (37 of 84) of reports.DangerH225 (56%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 84 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Status: Cease Manufacture Update: 22-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/62373-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard
DOT-Kennzeichnung	Flammable Liquid
Brandgefahren	Special Hazards of Combustion Products: May contain toxic fluoride fumes.
Gesundheitsgefahren	Inhalation causes upper respiratory irritation. Irritating to skin and eyes. May be absorbed through the skin. Prolonged exposure may result in systemic toxic effects. Harmful if swallowed. (USCG, 1999)
Gefahrenübersicht	An irritantMay cause smarting and reddening of skin if spilled and allowed to remain on clothesCan be absorbed through skinHarmful by ingestion[CHRIS] A mild skin and eye irritantCauses respiratory tract irritation[Alfa Aesar MSDS] See m-Chlorotoluene and 4-Chlorotoluene.
Reaktive Gruppe	Aryl Halides
Reactivity Alerts	Highly Flammable
Reactivity Profile	3-FLUOROTOLUENE may be incompatible with strong oxidizing and reducing agents. Also may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. Generates toxic fluoride fumes when burned.

Anwendungen & Verwendung

Verwenden

3-Fluorotoluene was used in gas phase selective synthesis of 3-fluorobenzaldehyde. It was used in generation of tolyl cations by chemical ionization in mass spectrometry.