2-chloro-6-(trifluoromethyl)benzoic Acid

HCID 11127965
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Grundinformationen

CAS
2376-00-3
Standard-SMILES
O=C(O)c1c(Cl)cccc1C(F)(F)F
InChIKey
OHWGZCNPFKBCDJ-UHFFFAOYSA-N
Summenformel
C8H4ClF3O2
Durchschnittliche Molmasse
224,56 g/mol
Monoisotopische Masse
223,9851915

Namen und Bezeichner

Bevorzugter Name
2-chloro-6-(trifluoromethyl)benzoic Acid
IUPAC
2-chloro-6-(trifluoromethyl)benzoic acid
Englischer Name
2-Chloro-6-(trifluoromethyl)be
Summenformel
C8H4ClF3O2
Molmasse
224.56

Namen und Synonyme

2-chloro-6-(trifluoromethyl)benzoic Acid2376-00-3DTXSID40456229RefChem:259060DTXCID30407048681-864-12-Chloro-6-(trifluoromethyl)beMFCD062082542-Chloro-6-trifluoromethylbenzoic acidBenzoic acid, 2-chloro-6-(trifluoromethyl)-SCHEMBL7849202-trifluoromethyl-6-chlorobenzoic acid
Weitere Namen anzeigen
2-Chloro-6-(trifluoromethyl)benzoicacid,97%2-Chloro-6-(trifluoromethyl)be ISO 9001：2015 REACH2-Chloro-6-(trifluoromethyl)benzoic acid, JRD, 97%
AKOS0159564842-chloro-6-(trifluoromethyl)benzoicAcidAS-18833SY104842AMY29742-chloro-6-(trifluoromethyl)b6-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-O-TOLUIC ACIDCAA37600

Datenbank-Bezeichner

CAS
2376-00-3
PubChem CID
11127965
DTXSID
DTXSID40456229
EC Number
681-864-1
Nikkaji
J724.664A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
1
Schwere Atome
14

Physikochemische Eigenschaften

Schmelzpunkt
123 · 123-125℃
Siedepunkt
255.6 · 255.6±40.0 °C(Predicted)
Dichte
1.523 · 1.523±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
2.04 · 2.04±0.36(Predicted)
InChI
InChI=1S/C8H4ClF3O2/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h1-3H,(H,13,14)

Sicherheit und Regulatorisches

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 5 reports by companies from 2 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

hs_code
2916399090

Chemie und Industrie

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上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
山东龙辰药业有限公司15964061209 15964061209 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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