Grundinformationen
- Standard-SMILES
Nc1ccccc1F- InChIKey
FTZQXOJYPFINKJ-UHFFFAOYSA-N- Summenformel
- C6H6FN
- Durchschnittliche Molmasse
- 111,12 g/mol
- Monoisotopische Masse
- 111,04842741
Überblick
2-fluoroaniline is a clear liquid with a mild sweet odor. Sinks in and mixes slowly with water. (USCG, 1999)
Namen und Bezeichner
- Bevorzugter Name
- 2-Fluoroaniline
- IUPAC
- 2-fluoroaniline
- Lokaler Name
- 2-Fluoranilin
- Englischer Name
- 2-Fluoroaniline
- Summenformel
- C6H6FN
- Molmasse
- 111.12
Namen und Synonyme
2-FLUOROANILINE348-54-9o-Fluoroaniline1-Amino-2-fluorobenzene2-Fluorobenzenamine2-fluorophenylamineSE32ZK6617NSC-10299DTXSID8059843CHEBI:27526RefChem:87141DTXCID1038905
Weitere Namen anzeigen
2-fluroanilineAKOS 911392-FluoranilinFLUOROANILINE-2AKOS BBS-000036281BO-Fluoroaniline
206-478-9Benzenamine, 2-fluoro-2-Fluoro-phenylamineAniline, o-fluoro-o-aminofluorobenzeneMFCD00007642Aniline, 2-fluoro-Telmisartan Impurity U
Datenbank-Bezeichner
- CAS
348-54-9- PubChem CID
- 9584
- DTXSID
DTXSID8059843- ChEMBL
CHEMBL195328- ChEBI
CHEBI:27526- UNII
- SE32ZK6617
- EC Number
- 206-478-9
- Nikkaji
- J60.426G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 74,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.26
Density1.1513 at 69.8 °F (USCG, 1999) - Denser than water; will sink
Flash Point140 °F (USCG, 1999)
Boiling Point347 °F at 760 mmHg (USCG, 1999)
Melting Point-19.3 °F (USCG, 1999)
Vapor Pressure1.0 [mmHg]
Physical Description
2-fluoroaniline is a clear liquid with a mild sweet odor. Sinks in and mixes slowly with water. (USCG, 1999)
Clear to pale yellow liquid with a mild sweet odor; [CHRIS]
Dissociation Constants3.2 (at 25 °C)
Physikochemische Eigenschaften
- Schmelzpunkt
- -29 °C · -29 °C
- Siedepunkt
- 182 · 182-183 °C(lit.)
- Dichte
- 1.151 g/mL · 1.151 g/mL at 25 °C(lit.)
- Dampfdruck
- 1 hPa · 1 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.544(lit.)
- Flammpunkt
- 140 °F · 140 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 17 g/l · 17g/l
- Aggregatzustand
- Liquid
- pka
- 3.2 · 3.2(at 25℃)
- Farbe
- Clear colorless
- Wichte
- 1.151 · 1.151
- Wasserlöslichkeit
- 17 g/L · 17 g/L (20°C)
- BRN
- 1524219 · 1524219
- Henry's Law Constant
- 1.4 · 1.4×100 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- 1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
- InChIKey
- FTZQXOJYPFINKJ-UHFFFAOYSA-N
- SMILES
- Nc1ccccc1F
- CAS Datenbank
- 348 · 348-54-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzenamine, 2-fluoro-(348-54-9)
- EPA chemische Informationen
- o-Fluoroaniline (348-54-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (46%): Flammable liquid and vapor [Warning Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 126 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23416
2-Fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison
Fire HazardsSpecial Hazards of Combustion Products: Irritating and toxic hydrogen fluoride and oxides of nitrogen may form in fires. (USCG, 1999)
Health Hazards
Inhalation or ingestion causes bluish tint to fingernails, lips and ears indicative of cyanosis; headache, drowsiness, and nausea, followed by unconsciousness. Liquid can be absorbed through skin and cause similar symptoms. Contact with eyes causes irritation. (USCG, 1999)
Hazards Summary
Causes methemoglobinemia in acute oral studies of rats; [RTECS] An eye irritant; Exposure may cause cyanosis, headache, nausea, and unconsciousness; Can be absorbed through skin; [CHRIS] A skin and strong eye irritant; May induce methemoglobinemia; Harmful by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See 2-Chloroaniline.
Reactive GroupAryl Halides
Reactivity Profile
2-FLUOROANILINE is a base. Neutralizes acids to form salts plus water in an exothermic reaction. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesFlam. Liq. 3 (46%)
Sicherheit und Schutzausrüstung
Fire FightingFire Extinguishing Agents: Water, dry chemical, foam or carbon dioxide (USCG, 1999)
First AidINHALATION: Remove victim from exposure immediately; if needed, administer oxygen; refer to physician.
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)Rubber gloves; chemical goggles; protective clothing; approved respirator. (USCG, 1999)
Toxikologische Informationen
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2941 6.1/PG 3
- hs_code
- 29214210
- RTECS-Nr.
- BY1390000
- risk_code
- 22-37/38-41-36/38-33-23/24/25
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic/Irritant
- safety_code
- 26-39-37/39-45-36/37-28
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1CSTOT RE 2
- Selbstentzündungstemperatur
- 600 °C
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzenamine, 2-fluoro-: ACTIVE
Anwendungen
Verwenden2-Fluoroaniline (cas# 348-54-9) is a useful reagent for the synthesis of insecticides.
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Ergänzende Hinweise
DefinitionChEBI: 2-fluoroaniline is a derivative of aniline in which the hydrogen at position 2 has been substituted by fluorine. It is used as a pharmaceutical intermediate It is a primary arylamine and a fluoroaniline.
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