2,3-Difluoro-4-methoxybenzoic acid
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Grundinformationen
- CAS
329014-60-0- Standard-SMILES
COc1ccc(C(=O)O)c(F)c1F- InChIKey
OBSJPUVORWCLNA-UHFFFAOYSA-N- Summenformel
- C8H6F2O3
- Durchschnittliche Molmasse
- 188,13 g/mol
- Monoisotopische Masse
- 188,02850037
Namen und Bezeichner
- Bevorzugter Name
- 2,3-Difluoro-4-methoxybenzoic acid
- IUPAC
- 2,3-difluoro-4-methoxybenzoic acid
- Englischer Name
- 2,3-Difluoro-4-methoxybenzoic acid
- Summenformel
- C8H6F2O3
- Molmasse
- 188.13
Namen und Synonyme
2,3-Difluoro-4-methoxybenzoic acid329014-60-0DTXSID80394176RefChem:81636DTXCID70345036608-797-2MFCD03428569Benzoic acid, 2,3-difluoro-4-methoxy-2,3-difluoro-4-methoxy-benzoic Acid2,3-Difluoro-4-methoxybenzoicacidBenzoic acid,2,3-difluoro-4-methoxy-SCHEMBL1961466
Weitere Namen anzeigen
2,3-Difluoro-4-methoxybenzoic acid, 97+%
OBSJPUVORWCLNA-UHFFFAOYSA-NSBB064407XH0437AKOS005254746AC-3953FD69960JS-4318SY101300
Datenbank-Bezeichner
- CAS
329014-60-0- PubChem CID
- 3611682
- DTXSID
DTXSID80394176- EC Number
- 608-797-2
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 198
Physikochemische Eigenschaften
- Schmelzpunkt
- 222 · 222-224°C
- storage temp.
- 2 · 2-8°C
- InChI
- InChI=1S/C8H6F2O3/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3H,1H3,(H,11,12)
- InChIKey
- OBSJPUVORWCLNA-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(OC)C(F)=C1F
- CAS Datenbank
- 329014 · 329014-60-0(CAS DataBase Reference)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 7 reports by companies from 4 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2918999090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemie und Industrie
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