Grundinformationen
- Standard-SMILES
Cc1cccc(F)c1- InChIKey
BTQZKHUEUDPRST-UHFFFAOYSA-N- Summenformel
- C7H7F
- Durchschnittliche Molmasse
- 110,13 g/mol
- Monoisotopische Masse
- 110,05317844
Überblick
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)
Namen und Bezeichner
- Bevorzugter Name
- m-Fluorotoluene
- IUPAC
- 1-fluoro-3-methylbenzene
- Lokaler Name
- 3-Fluortoluol
- Englischer Name
- 3-Fluorotoluene
- Summenformel
- C7H7F
- Molmasse
- 110.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2599-73-7、352-70-5- PubChem CID
- 9606
- DTXSID
DTXSID2059855- ChEMBL
CHEMBL345698- UNII
- F72W445DQ0
- EC Number
- 206-524-8
- Nikkaji
- J61.495E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 70,8
Experimentelle und physikochemische Eigenschaften
Vapor Pressure
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)
Colorless liquid; [Merck Index] Aromatic odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -87 °C · -87 °C
- Siedepunkt
- 115 °C · 115 °C(lit.)
- Dichte
- 0.991 g/mL · 0.991 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.469(lit.)
- Flammpunkt
- 49 °F · 49 °F
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Wichte
- 0.991 · 0.991
- Wasserlöslichkeit
- immiscible
- Merck
- 14 · 14,4180
- BRN
- 1903631 · 1903631
- Dielectric constant
- 5.42 · 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
- 2.75 · 2.75
- CAS Datenbank
- 352 · 352-70-5(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1-fluoro-3-methyl-(352-70-5)
- EPA chemische Informationen
- m-Fluorotoluene (352-70-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 44% (37 of 84) of reports.
Danger
H225 (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.
Gefahrenhinweise
Regulatory Information
Status: Cease Manufacture Update: 22-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6237
3-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
An irritant; May cause smarting and reddening of skin if spilled and allowed to remain on clothes; Can be absorbed through skin; Harmful by ingestion; [CHRIS] A mild skin and eye irritant; Causes respiratory tract irritation; [Alfa Aesar MSDS] See m-Chlorotoluene and 4-Chlorotoluene.
Sicherheit und Schutzausrüstung
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2388 3/PG 2
- hs_code
- 29036990
- RTECS-Nr.
- XT2578000
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- hazard_note
- Flammable/Irritant
- safety_code
- 16-26-36-37/39
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden3-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.
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