2,6-Difluorbenzoesure

2,6-Difluorobenzoic acid

HCID 9796CAS 385-00-2
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Grundinformationen

Standard-SMILES
O=C(O)c1c(F)cccc1F
InChIKey
ONOTYLMNTZNAQZ-UHFFFAOYSA-N
Summenformel
C7H4F2O2
Durchschnittliche Molmasse
158,1 g/mol
Monoisotopische Masse
158,01793581

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name
2,6-Difluorobenzoic acid
IUPAC
2,6-difluorobenzoic acid
Lokaler Name
2,6-Difluorbenzoesure
Englischer Name
2,6-Difluorobenzoic acid
Summenformel
C7H4F2O2
Molmasse
158.1

Namen und Synonyme

2,6-DIFLUOROBENZOIC ACID385-00-2Benzoic acid, 2,6-difluoro-95B9M9KUY5NSC-126584DTXSID7075391RefChem:83230DTXCID4039520206-856-3MFCD000024112,6-DifluorobenzoicacidBRN 0973774
Weitere Namen anzeigen
2,6-Difluorobenzoic2.6-DifluorobeAKOS BBS-00003807RARECHEM AL BO 0020DifluorobenzoicacidDifluorobenzoic aci6-Difluorobenzoic acid2,6-Difuorobenzoic acid2,6-difluorobonzoic acid
EINECS 206-856-32,6-difluoro benzoic acidNSC 126584AI3-63060NSC126584Benzoic acid,6-difluoro-2,6,-difluorobenzoic acid2,6-difluoro-benzoic acid

Datenbank-Bezeichner

CAS
385-00-2
PubChem CID
9796
DTXSID
DTXSID7075391
UNII
95B9M9KUY5
EC Number
206-856-3
Nikkaji
J83.346K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Benzoic Acid Derivatives
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP1.59
Vapor Pressure0.02 [mmHg]
Physical DescriptionLight brown crystalline solid; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
157 · 157-161 °C (lit.)
Siedepunkt
72 · 72-77°C 13mm
Dichte
1.3486 · 1.3486 (estimate)
Flammpunkt
72 · 72-77°C/13mm
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
soluble in Methanol

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Benzoic acid, 2,6-difluoro-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24004

2,6-Difluorobenzoic 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 SummaryA skin and strong eye irritant; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29163900
RTECS-Nr.
DG8559000
risk_code
36/37/38-37/38-36
hazard_code
Xi

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationBenzoic acid, 2,6-difluoro-: ACTIVE

Anwendungen

Verwenden2,6-Difluorobenzoic acid has been used in the synthesis of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridine-5-yl)-3-(propylsulfonamidio)benzamide and methyl 2,6-difluorobenzoate.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁太化工（山东）有限公司15314216173
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

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