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2-Fluorphenol

2-Fluorophenol

HCID 9707
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Grundinformationen

CAS
367-12-4
Standard-SMILES
Oc1ccccc1F
InChIKey
HFHFGHLXUCOHLN-UHFFFAOYSA-N
Summenformel
C6H5FO
Durchschnittliche Molmasse
112,1 g/mol
Monoisotopische Masse
112,032443

Überblick

2-fluorophenol appears as liquid or crystalline solid melting at 14-16 °C. Corrosive. Density 1.246 g / cm3.

Namen und Bezeichner

Bevorzugter Name
2-Fluorophenol
IUPAC
2-fluorophenol
Lokaler Name
2-Fluorphenol
Englischer Name
2-Fluorophenol
Summenformel
C6H5FO
Molmasse
112.1

Namen und Synonyme

2-FLUOROPHENOL367-12-4o-FluorophenolPhenol, 2-fluoro-1-Fluoro-2-hydroxybenzenePhenol, o-fluoro-DTXSID0047745I9OW1NLY9RNSC-10294DTXCID0027729RefChem:472648206-681-2
Weitere Namen anzeigen
1-Bromo-3-fluorobezeneuorophenoL2-Florophenol2-Flurophenolo-fluoro-pheno2-fluoro-pheno2-Fluorophenole2-Fluorophenol f
Fluorophenol2-fluoro-phenolMFCD000021552-fluorohydroxybenzenePhenol, fluoro-CCRIS 1226EINECS 206-681-2UNII-I9OW1NLY9R

Datenbank-Bezeichner

CAS
367-12-4
PubChem CID
9707
DTXSID
DTXSID0047745
ChEMBL
CHEMBL224144
UNII
I9OW1NLY9R
EC Number
206-681-2
Nikkaji
J110.443H

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
1,7
Polarare Oberfläche (TPSA)
20,2 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 ClassesOther Classes -> Phenols
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.71
Boiling Point304 to 306 °F at 760 mmHg (NTP, 1992)
Melting Point61 °F (NTP, 1992)
Vapor Pressure1.19 [mmHg]
Physical Description · 2 Einträge

2-fluorophenol appears as liquid or crystalline solid melting at 14-16 °C. Corrosive. Density 1.246 g / cm3.

Liquid or solid; mp = 14-16 deg C; [CAMEO] Colorless liquid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt
16.1 °C · 16.1 °C (lit.)
Siedepunkt

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 3.3% (1 of 30) of reports.

Danger

H226 (96.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 30 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Phenol, 2-fluoro-

2-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsACUTE/CHRONIC HAZARDS: Toxic and irritant. (NTP, 1992)
Hazards SummaryAn irritant; [CAMEO] A skin and eye irritant; [eChemPortal: ERMA] An irritant; [MSDSonline]
Reactive GroupPhenols and Cresols
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 Eintrag

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPhenol, 2-fluoro-: ACTIVE

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

1-Chlor-2-nitrobenzolKaliumfluoridWasserstoff1-ACETOXY-2-FLUOROBENZENE3'-Fluoro-4'-hydroxyacetophenone

Nachgelagerte Produkte

3-Fluoro-4-hydroxybenzaldehyde1,4-Benzodioxan4-BROMO-2-FLUORO-3-METHOXY-BENZOIC ACID4-Bromo-2-fluorophenol3''-Fluoro-2''-Hydroxyacetophenone2-FLUORO-3-HYDROXYBENZALDEHYDE3-FLUORO-2-METHOXYBENZALDEHYDE2-Bromo-6-fluorophenol2-Fluor-6-nitrophenol2,4,5-Trichlorobenzoic acid

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171 · 171-172 °C/741 mmHg (lit.)
Dichte
1.256 g/mL · 1.256 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.511(lit.)
Flammpunkt
116 °F · 116 °F
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
37.7 g/l · 37.7g/l
Aggregatzustand
Liquid
pka
8.73 · 8.73(at 25℃)
Wichte
1.256 · 1.256
Farbe
Clear colorless to light yellow-brownish
Wasserlöslichkeit
80.72 g/L · 80.72g/L(25 ºC)
BRN
1905112 · 1905112
Henry's Law Constant
3.1 · 3.1×100 mol/(m3Pa) at 25℃, Abraham et al. (1994)
Stabilität
Stable. Flammable. Incompatible with strong oxidizing agents.
InChI
1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey
HFHFGHLXUCOHLN-UHFFFAOYSA-N
SMILES
Oc1ccccc1F
CAS Datenbank
367 · 367-12-4(CAS DataBase Reference)
NIST chemische Informationen
2 · Phenol, 2-fluoro-(367-12-4)
EPA chemische Informationen
o-Fluorophenol (367-12-4)

2-FLUOROPHENOL reacts as a weak organic acid. May be incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction with bases. Such heating may initiate polymerization of the organic compound. Sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Nitrated very rapidly, even by dilute nitric acid.

Air and Water ReactionsHighly flammable.
Hazard Classes and CategoriesFlam. Liq. 3 (96.7%)

Sicherheit und Schutzausrüstung

Fire Fighting · 1 Eintrag

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

Toxikologische Informationen

EPA Provisional Peer-Reviewed Toxicity Values · 3 Einträge

2-Fluorophenol

PDF Document

2004

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
29081000
RTECS-Nr.
SL4530000
risk_code
20/21/22-36/37/38-10-63-43-23/24/25-45-40
hazard_code
Xn,F,C,Xi,T
hazard_note
Flammable/Corrosive
safety_code
28-36/37-36/37/39-26-16-24/25-23-53-36
hazard_class
3
packing_group
III
Speicherklasse
3 - Flammable liquids
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2