CAS 1202578-27-5 4-(Trifluoromethyl)cyclohexanecarboxylic acid (HCID 2779182)

Namen und Bezeichner

Bevorzugter Name: 4-(Trifluoromethyl)cyclohexanecarboxylic acid
IUPAC: 4-(trifluoromethyl)cyclohexane-1-carboxylic acid
Englischer Name: 4-(Trifluoromethyl)cyclohexanecarboxylic acid
Summenformel: C8H11F3O2
Molmasse: 196.17

Namen und Synonyme

4-(Trifluoromethyl)cyclohexanecarboxylic Acid133261-33-395233-30-0cis-4-(Trifluoromethyl)cyclohexanecarboxylic Acid1202578-27-54-(trifluoromethyl)cyclohexane-1-carboxylic Acid(1r,4r)-4-(trifluoromethyl)cyclohexane-1-carboxylic acidDTXSID501254376RefChem:517153DTXCID601685140626-768-2662-970-7

Weitere Namen anzeigen

1-Carboxy-4-(trifluoromethyl)cyclohexane4-(TRIFLUOROMETHYL)CYCLOHEXANECARBOXYLI&4-(Trifluoromethyl)cyclohexanecarboxylicaci4-(Trifluoromethyl)cyclohexan-1-carboxylic acid4-(trifluoromethyl)-1-cyclohexanecarboxylic acidCyclohexanecarboxylic acid, 4-(trifluoromethyl)-4-Trifluoromethylcyclohexanecarboxylic acid cis/trans4-(trifluoromethyl)cyclohexanecarboxylic acid - [T88056]

805-904-6932-589-3trans-4-(Trifluoromethyl)cyclohexanecarboxylic Acidtrans-4-(Trifluoromethyl)cyclohexane-carboxylic acid(1R,4R)-4-(Trifluoromethyl)cyclohexanecarboxylic acidMFCD09037363trans-4-(Trifluoromethyl)cyclohexane-carboxylicacidCyclohexanecarboxylic acid, 4-(trifluoromethyl)-, trans-

Datenbank-Bezeichner

CAS: 1202578-27-5、133261-33-3、95233-30-0
PubChem CID: 2779182
DTXSID: DTXSID501254376
EC Number: 626-768-2、662-970-7、805-904-6、932-589-3
Nikkaji: J2.650.062A、J2.650.912B、J2.650.917C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 192

Physikochemische Eigenschaften

Schmelzpunkt: 71 · 71-75 °C(lit.)
Siedepunkt: 230 · 230-231°C
Dichte: 1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 4.6 · 4.60±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: InChI=1S/C8H11F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h5-6H,1-4H2,(H,12,13)
InChIKey: LMEAZIIFLVDISW-UHFFFAOYSA-N
SMILES: C1(C(O)=O)CCC(C(F)(F)F)CC1
CAS Datenbank: 95233 · 95233-30-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (89.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (10.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 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 Categories · 4 Einträge

Acute Tox. 4 (89.1%)；Acute Tox. 4 (89.1%)；Skin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；Acute Tox. 4 (89.1%)；STOT SE 3 (10.9%)

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)

Acute Tox. 4 (97.6%)；Acute Tox. 4 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.6%)；STOT SE 3 (97.6%)

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN3261
hs_code: 2916200090
risk_code: 20/21/22-36/38
hazard_code: Xn,C
safety_code: 26-36/37-7/9
hazard_class: CORROSIVE
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2