Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate

HCID 83569

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Basic information

CAS: 13544-07-5
Standard SMILES: COC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey: WFQOIJIXNFOYCM-UHFFFAOYSA-N
Molecular formula: C10H8F3NO4
Average molar mass: 263.17 g/mol
Monoisotopic mass: 263.0405424

Names & identifiers

Preferred name: Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetate
IUPAC: methyl 2-[2-nitro-4-(trifluoromethyl)phenyl]acetate
English name: methyl (2-nitro-4-trifluorobenzyl)acetate
Molecular formula: C10H8F3NO4
Molecular weight: 263.17

Names & synonyms

13544-07-5Methyl 2-(2-nitro-4-(trifluoromethyl)phenyl)acetateMethyl (2-nitro-4-trifluoromethylphenyl)acetateMethyl 2-nitro-4-(trifluoromethyl)phenylacetatemethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]acetateMethyl (2-nitro-4-trifluorobenzyl)acetateMFCD09800854methyl [2-nitro-4-(trifluoromethyl)phenyl]acetateEINECS 236-914-3SCHEMBL998984Methyl2-(2-nitro-4-(trifluoromethyl)phenyl)acetateDTXSID80159348

Show more names

Methyl2-nitro-4-(trifluoromethyl)phenylacetate2-[2-nitro-4-(trifluoromethyl)phenyl]propanoate2-Nitro-4-(trifluoromethyl)benzeneacetic acid methyl esterBenzeneacetic acid, 2-nitro-4-(trifluoromethyl)-, methyl ester

SBB102634AKOS015833305AB52597PS-6855DA-11591SY096549CS-0205426Methyl 2-nitro-4-trifluoromethylphenylacetate

Database identifiers

CAS: 13544-07-5
PubChem CID: 83569
DTXSID: DTXSID80159348
EC Number: 236-914-3
Nikkaji: J241.181D

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 326

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362
Hazard Codes: Xi
HS Code: 2915390090 · 2915390090

Safety & regulation

Safety data

hs_code: 2915390090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
Hazard statements: H315-H319
Precautionary statements: P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362