3,5-Bis(trifluoromethyl)hydrocinnamic acid

HCID 1268098
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Grundinformationen

CAS
181772-16-7
Standard-SMILES
O=C(O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
LISLXJGPJUAEHU-UHFFFAOYSA-N
Summenformel
C11H8F6O2
Durchschnittliche Molmasse
286,17 g/mol
Monoisotopische Masse
286,04284847

Namen und Bezeichner

Bevorzugter Name
3,5-Bis(trifluoromethyl)hydrocinnamic acid
IUPAC
3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid
Englischer Name
3,5-Bis(trifluoromethyl)hydrocinnamic acid
Summenformel
C11H8F6O2
Molmasse
286.17

Namen und Synonyme

181772-16-73,5-Bis(trifluoromethyl)hydrocinnamic acidDTXSID90361455RefChem:271504DTXCID50312504623-669-63-[3,5-bis(trifluoromethyl)phenyl]propanoic Acid3-(3,5-bis(trifluoromethyl)phenyl)propanoic acidMFCD006740333,5-Bis(trifluoromethyl)benzenepropanoic acidBenzenepropanoic acid, 3,5-bis(trifluoromethyl)-STR04952
Weitere Namen anzeigen
3,5-Bis(trifluoromethyl)phenylpropanoic acid3-(3,5-Ditrifluoromethylphenyl)propionic acid3,5-Bis(trifluoromethyl)hydrocinnamic acid 97%
3,5-bis-trifluoromethyl-hydrocinnamic acidCS-0314218A50651BRD-K47134698-001-01-23-[3,5-Bis(trifluoromethyl)phenyl]propionic acidA812635SCHEMBL10157953-(3,5-bis(trifluoromethyl)pheny

Datenbank-Bezeichner

CAS
181772-16-7
PubChem CID
1268098
DTXSID
DTXSID90361455
EC Number
623-669-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,4
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
3
Schwere Atome
19

Physikochemische Eigenschaften

Schmelzpunkt
68 · 68-73 °C(lit.)
Siedepunkt
247 ℃ · 247℃
Dichte
1.427 · 1.427
Flammpunkt
103 ℃ · 103℃
pka
4.45 · 4.45±0.10(Predicted)
Aggregatzustand
solid

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 39 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

wgk
3
hs_code
2918999090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden3,5-Bis(trifluoroMethyl)hydrocinnaMic acid can be used to prepare novel biologically active amides.

Anbieter22 Anbieter

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]

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