Methyl (3-(trifluoromethyl)phenyl)acetate

HCID 2734603CAS 62451-84-7

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Basic information

Standard SMILES: COC(=O)Cc1cccc(C(F)(F)F)c1
InChIKey: GMEBDKGPPKAPEM-UHFFFAOYSA-N
Molecular formula: C10H9F3O2
Average molar mass: 218.17 g/mol
Monoisotopic mass: 218.05546419

Names & identifiers

Preferred name: Methyl (3-(trifluoromethyl)phenyl)acetate
IUPAC: methyl 2-[3-(trifluoromethyl)phenyl]acetate
English name: Methyl 3-(trifluoromethyl)phenylacetate
Molecular formula: C10H9F3O2
Molecular weight: 218.17

Names & synonyms

62451-84-7methyl [3-(trifluoromethyl)phenyl]acetateDTXSID90370385Methyl (3-(trifluoromethyl)phenyl)acetateRefChem:1089193DTXCID60321420methyl 2-(3-(trifluoromethyl)phenyl)acetateMethyl 3-(trifluoromethyl)phenylacetatemethyl 2-[3-(trifluoromethyl)phenyl]acetateMFCD04039762Methyl (3-trifluoromethylphenyl)acetateMethyl2-(3-(trifluoro

Show more names

Methyl 2-(3-(AURORA KA-6005Methyl 2-(3-(trifluoromethyl)Methyle3-(trifluoromethyl)phenylacetateMethyl3-(trifluoromethyl)phenylacetate,95%Methyl 3-(trifluoromethyl)phenylacetate,97%Methyl 3-(trifluoromethyl)phenylacetate 97%(3-TRIFLUOROMETHYLPHENYL) ACETIC ACID METHYL ESTER

Methyl2-(3-(trifluoromethyl)phenyl)acetateSCHEMBL4338Benzeneacetic acid, 3-(trifluoromethyl)-, methyl esterSCHEMBL30632615methyl m-trifluoromethylphenylacetateMethyl 3-trifluoromethylphenylacetatemethyl-3-trifluoromethylphenylacetateSBB095542

Database identifiers

CAS: 62451-84-7
PubChem CID: 2734603
DTXSID: DTXSID90370385
EC Number: 642-719-8
Nikkaji: J1.606.937J

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 225

Physicochemical properties

Boiling point: 211 ℃ · 211℃
Density: 1.24 · 1.24
refractive index: 1.45 · 1.45-1.452
storage temp.: Sealed in dry,Room Temperature
form: Liquid
color: Clear colorless
InChI: 1S/C10H9F3O2/c1-15-9(14)6-7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3
InChIKey: GMEBDKGPPKAPEM-UHFFFAOYSA-N
SMILES: O=C(OC)CC1=CC(C(F)(F)F)=CC=C1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 29163900 · 29163900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.