Grundinformationen
- CAS
95-52-3- Standard-SMILES
Cc1ccccc1F- InChIKey
MMZYCBHLNZVROM-UHFFFAOYSA-N- Summenformel
- C7H7F
- Durchschnittliche Molmasse
- 110,13 g/mol
- Monoisotopische Masse
- 110,05317839
Namen und Bezeichner
- Bevorzugter Name
- 2-Fluorotoluene
- IUPAC
- 1-fluoro-2-methylbenzene
- Lokaler Name
- 2-Fluortoluol
- Englischer Name
- 2-Fluorotoluene
- Summenformel
- C7H7F
- Molmasse
- 110.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
95-52-3- PubChem CID
- 7241
- DTXSID
DTXSID7021811- ChEMBL
CHEMBL352215- UNII
- L55XKB3K7H
- EC Number
- 202-428-5
- Nikkaji
- J61.496C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 70
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
763.7;767;767;777
785;777.4;757;783
Physikochemische Eigenschaften
- Schmelzpunkt
- -62 °C · -62 °C (lit.)
- Siedepunkt
- 113 · 113-114 °C (lit.)
- Dichte
- 1.001 g/mL · 1.001 g/mL at 25 °C (lit.)
- Dampfdichte
- 3.8 · 3.8 (vs air)
- Dampfdruck
- 21 mm · 21 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.473(lit.)
- Flammpunkt
- 55 °F · 55 °F
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- Liquid
- Wichte
- 1.001 · 1.001
- Farbe
- Clear colorless to slightly yellow
- Explosionsgrenze
- 1.3 % · 1.3%(V)
- Wasserlöslichkeit
- immiscible
- Merck
- 14 · 14,4180
- BRN
- 1853362 · 1853362
- Dielectric constant
- 4.22 · 4.2199999999999998
- InChI
- 1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
- InChIKey
- MMZYCBHLNZVROM-UHFFFAOYSA-N
- SMILES
- Cc1ccccc1F
- LogP
- 2.73 · 2.73-2.74
- CAS Datenbank
- 95 · 95-52-3(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1-fluoro-2-methyl-(95-52-3)
- EPA chemische Informationen
- o-Fluorotoluene (95-52-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H301 (28.2%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (49%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (49%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (22.1%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (94%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 149 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 20-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21591;Status: Cease Manufacture Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6214
2-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard
Fire Hazards
Special Hazards of Combustion Products: May contain toxic fluoride fumes.;Behavior in Fire: Container may explode in heat of fire. Vapor may travel to a source of ignition and flashback. Vapor explosion hazard indoors, outdoors or in sewer. Toxic fluoride fumes may be produced. (USCG, 1999)
Sicherheit und Schutzausrüstung
First Aid
INHALATION: Move to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen.;EYES OR SKIN: Flush with running water for at least 15 min.; hold eyelids open if necessary. Remove and isolate contaminated clothing and shoes at the site.;INGESTION: DO NOT INDUCE VOMITING. If victim is unconscious or having convulsions, do nothing except keep victim warm. (USCG, 1999)
Nonfire Spill Response
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:;ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.;LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)
Isolation and Evacuation
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.;LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Regulatorische Informationen
Regulatory Information
Status: Active Update: 20-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21591;Status: Cease Manufacture Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6214
2-Fluorotoluene: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2388 3/PG 2
- hs_code
- 29036990
- RTECS-Nr.
- XT2579000
- risk_code
- 11-36/37/38
- Toxizität
- LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 2000 mg/kg
- hazard_code
- F,Xi
- hazard_note
- Flammable/Irritant
- safety_code
- 16-26-33-36-37/39
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenIt is employed in organic synthesis.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
Zugehörige Reaktionen
Notizen zur Verbindung
Wird geladen…