3-Fluorbenzoesaeure

3-Fluorobenzoic Acid

HCID 9968CAS 455-38-9
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Grundinformationen

Standard-SMILES
O=C(O)c1cccc(F)c1
InChIKey
MXNBDFWNYRNIBH-UHFFFAOYSA-N
Summenformel
C7H5FO2
Durchschnittliche Molmasse
140,11 g/mol
Monoisotopische Masse
140,02735762

Überblick

3-fluorobenzoic acid is a fluorobenzoic acid that is benzoic acid substituted by a fluoro group at position 3. It is a conjugate acid of a 3-fluorobenzoate.

Namen und Bezeichner

Bevorzugter Name
3-Fluorobenzoic Acid
IUPAC
3-fluorobenzoic acid
Lokaler Name
3-Fluorbenzoesaeure
Englischer Name
3-Fluorobenzoic acid
Summenformel
C7H5FO2
Molmasse
140.11

Namen und Synonyme

3-FLUOROBENZOIC ACID455-38-9m-Fluorobenzoic acidBenzoic acid, 3-fluoro-Benzoic acid, m-fluoro-meta-Fluorobenzoic acidELG54JFF34NSC-10320DTXSID4060020CHEBI:20021NSC-176125RefChem:93949
Weitere Namen anzeigen
NSC 176125Between acid3-FluorbenzoesureFluorobenzoic aci3-Fluorobenzoi acid3-fluoro-benzoicaciRARECHEM AL BO 0038
DTXCID9040429207-248-0MFCD00002489m-Fluorobenzoic Acid; NSC 10320; NSC 176125;EINECS 207-248-0NSC 103203-Fluoro-Benzoic AcidUNII-ELG54JFF34

Datenbank-Bezeichner

CAS
455-38-9
PubChem CID
9968
DTXSID
DTXSID4060020
ChEMBL
CHEMBL302365
ChEBI
CHEBI:20021
UNII
ELG54JFF34
EC Number
207-248-0
Nikkaji
J47.806G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Benzoic Acid Derivatives
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.05
Vapor Pressure0.05 [mmHg]
Physical DescriptionWhite to light yellow powder; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
122 · 122-124 °C (lit.)
Siedepunkt
226.1 °C · 226.1°C (rough estimate)
Dichte
1.474 · 1.474
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
1.5 g/l · 1.5g/l
Aggregatzustand
Powder

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 38.5% (37 of 96) of reports.

Warning

H315 (61.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 96 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information3-Fluorobenzoic Acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryAn irritant; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (61.5%)

Sicherheitsdaten

wgk
1
tsca
TSCA listed
hs_code
29163900
risk_code
37/38-36/37/38
hazard_code
Xi
safety_code
22-28-24/25-37/39-26-36

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 3-fluoro-: ACTIVE

Anwendungen

Verwenden3-Fluorobenzoic Acid (cas# 455-38-9) is a compound useful in organic synthesis.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 3-fluorobenzoic acid is a fluorobenzoic acid that is benzoic acid substituted by a fluoro group at position 3. It is a conjugate acid of a 3-fluorobenzoate.

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