CAS 93748-19-7 2-(4-Fluorophenyl)-2-methylpropanoic acid (HCID 20163803)

Substructure search Find similar structures

Basic information

CAS: 93748-19-7
Standard SMILES: CC(C)(C(=O)O)c1ccc(F)cc1
InChIKey: IOSAIRIBZLAABD-UHFFFAOYSA-N
Molecular formula: C10H11FO2
Average molar mass: 182.19 g/mol
Monoisotopic mass: 182.07430775

Names & identifiers

Preferred name: 2-(4-Fluorophenyl)-2-methylpropanoic acid
IUPAC: 2-(4-fluorophenyl)-2-methylpropanoic acid
English name: 2-(4-Fluorophenyl)-2-methylpropanoic acid
Molecular formula: C10H11FO2
Molecular weight: 182.19

Names & synonyms

2-(4-fluorophenyl)-2-methylpropanoic acid93748-19-7DTXSID20603193RefChem:252356DTXCID50553950821-612-1MFCD110369162-(4-Fluorophenyl)-2-methylpropionic acidSCHEMBL1421745AC7352AKOS000745559BS-24617

Show more names

Benzeneacetic acid, 4-fluoro-α,α-dimethyl-

SY0235112-(4-fluorophenyl)-2-methylpropanoicacidBCP100722-(4-fluorophenyl)-2-methyl-propanoic acidCS-00944682-(4-fluoro-phenyl)-2-methyl-propionic acidEN300-68812F377835

Database identifiers

CAS: 93748-19-7
PubChem CID: 20163803
DTXSID: DTXSID20603193
EC Number: 821-612-1

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 193

Physicochemical properties

Boiling point: 268.8 · 268.8±15.0 °C(Predicted)
Density: 1.175 · 1.175±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.36 · 4.36±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
HazardClass: IRRITANT
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 29 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H335-H319-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362