CAS 1737-26-4 1-[4-(Trifluoromethyl)phenyl]ethan-1-ol (HCID 137186)

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Basic information

CAS: 1737-26-4
Standard SMILES: CC(O)c1ccc(C(F)(F)F)cc1
InChIKey: YMXIDIAEXNLCFT-UHFFFAOYSA-N
Molecular formula: C9H9F3O
Average molar mass: 190.16 g/mol
Monoisotopic mass: 190.06054939

Names & identifiers

Preferred name: 1-[4-(Trifluoromethyl)phenyl]ethan-1-ol
IUPAC: 1-[4-(trifluoromethyl)phenyl]ethanol
English name: 1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL
Molecular formula: C9H9F3O
Molecular weight: 190.16

Names & synonyms

1-[4-(trifluoromethyl)phenyl]ethan-1-ol1-(4-(trifluoromethyl)phenyl)ethan-1-olDTXSID30938423RefChem:428931DTXCID90896914642-857-91-[4-(Trifluoromethyl)phenyl]ethanol1737-26-41-(4-(Trifluoromethyl)phenyl)ethanolMFCD00039618A-Methyl-4-trifluoromethylbenzyl alcoholSCHEMBL342466

Show more names

1-(4-trifluorophenyl)ethanol1-[4-(Trifluoromethyl)phenyl]thanol-Methyl-4-trifluoromethylbenzylalcoholα-Methyl-4-trifluoromethylbenzylalcohol1-4-(Trifluoromethyl)phenylüethanol, 97%à-methyl-4-(trifluoromethyl)benzyl alcohol4-(Trifluoromethyl)-α-methylbenzyl alcohol

1-(4-trifluoromethylphenyl)-ethanolBenzenemethanol, alpha-methyl-4-(trifluoromethyl)-1-(4-trifluoromethyl-phenyl)-ethanolAKOS000249264alpha-Methyl-4-(trifluoromethyl)benzyl alcohol1-[4-(triSCHEMBL1046560SCHEMBL4289073

Database identifiers

CAS: 1737-26-4

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 106 · 106-107 °C8 mm Hg(lit.)
Density: 1.237 g/mL · 1.237 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.458(lit.)
Flash point: 209 °F · 209 °F
storage temp.: Sealed in dry,Room Temperature
pka: 13.98 · 13.98±0.20(Predicted)
Specific Gravity: 1.2371 · 1.2371.249
Appearance: Colorless to light yellow Liquid
optical activity: -1.3 ° · -1.3° (C=1.00 g/100ml, MEOH)
BRN: 2257808 · 2257808
InChI: InChI=1S/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3
InChIKey: YMXIDIAEXNLCFT-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)C=CC(C(O)C)=CC=1
CAS DataBase Reference: 1737 · 1737-26-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): 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 8 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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (25%)

Safety data

wgk: 3
hs_code: 2906290090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,F
hazard_note: Irritant
safety_code: 24/25
hazard_class: FLAMMABLE
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313