2,6-Bis(trifluormethyl)benzoesure

2,6-Bis(trifluoromethyl)benzoic acid

HCID 90618

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Grundinformationen

CAS: 24821-22-5
Standard-SMILES: O=C(O)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIKey: XZNLSDPNMNWCRE-UHFFFAOYSA-N
Summenformel: C9H4F6O2
Durchschnittliche Molmasse: 258,12 g/mol
Monoisotopische Masse: 258,01154834

Namen und Bezeichner

Bevorzugter Name: 2,6-Bis(trifluoromethyl)benzoic acid
IUPAC: 2,6-bis(trifluoromethyl)benzoic acid
Lokaler Name: 2,6-Bis(trifluormethyl)benzoesure
Englischer Name: 2,6-BIS(TRIFLUOROMETHYL)BENZOIC ACID
Summenformel: C9H4F6O2
Molmasse: 258.12

Namen und Synonyme

2,6-Bis(trifluoromethyl)benzoic acid24821-22-5Benzoic acid, 2,6-bis(trifluoromethyl)-2,6-di(Trifluoromethyl)benzoic acidEINECS 246-479-1DTXSID40179522RefChem:83094DTXCID00102013246-479-1XZNLSDPNMNWCRE-UHFFFAOYSA-NMFCD000003763VW9D8KD6R

Weitere Namen anzeigen

BUTTPARK 44\01-73TIMTEC-BB SBB000962RARECHEM AL BO 05132,6-Bis-(trifluromethyl)benzoic acid2,6-BIS(TRIFLUOROMETHYL)BENZIOC ACID2,6-Bis(trifluoromethyl)benzoic acid 98%2,6-Bis(trifluoromethyl)benzoic acid 98%

2,6-bis-trifluoromethylbenzoic acid2,6-Bis-trifluoromethyl-benzoic acidUNII-3VW9D8KD6RSCHEMBL504216SCHEMBL14867892,6-Bistrifluoromethyl benzoic acidCK2214SBB000962

Datenbank-Bezeichner

CAS: 24821-22-5
PubChem CID: 90618
DTXSID: DTXSID40179522
UNII: 3VW9D8KD6R
EC Number: 246-479-1
Nikkaji: J267.226J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 273

Physikochemische Eigenschaften

Schmelzpunkt: 138 · 138-140 °C (lit.)
Siedepunkt: 220 ℃ · 220℃
Dichte: 1.527 · 1.527
Flammpunkt: 87 ℃ · 87℃
storage temp.: Store at room temperature
Aggregatzustand: Crystalline Powder
pka: 2.27 · 2.27±0.50(Predicted)
Farbe: White
Wasserlöslichkeit: Soluble in water.
BRN: 2057459 · 2057459
InChI: 1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)
InChIKey: XZNLSDPNMNWCRE-UHFFFAOYSA-N
SMILES: OC(=O)c1c(cccc1C(F)(F)F)C(F)(F)F
CAS Datenbank: 24821 · 24821-22-5(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 · 5 Einträge

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 47 reports by companies from 7 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. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,6-Bis(trifluoromethyl)benzoic acid is a useful synthetic intermediate, and is a derivative of Benzoic acid (B203900). 2,6-Bis(trifluoromethyl)benzoic acid has also been identified as a chemical hybridizing agent in wheat.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Benzenemethanol, 2,6-bis(trifluoromethyl)-

Anbieter73 Anbieter

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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Reaktionsaufzeichnung erstellen

HRID 802131als EduktTest data from https://doi.org/10.1039/C8SC04228D

HRID 1567366als EduktTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1636326als Eduktuspto-grants-2000_03

HRID 1720084als Eduktuspto-grants-1996_04

HRID 2151906als EduktTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

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