Dimethyl 2-fluoroterephthalate

HCID 79178CAS 5292-47-7

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Basic information

Standard SMILES: COC(=O)c1ccc(C(=O)OC)c(F)c1
InChIKey: NCRFSIQSCLJDIC-UHFFFAOYSA-N
Molecular formula: C10H9FO4
Average molar mass: 212.17 g/mol
Monoisotopic mass: 212.04848693

Names & identifiers

Preferred name: Dimethyl 2-fluoroterephthalate
IUPAC: dimethyl 2-fluorobenzene-1,4-dicarboxylate
English name: Dimethyl 2-fluoroterephthalate
Molecular formula: C10H9FO4
Molecular weight: 212.17

Names & synonyms

Dimethyl 2-fluoroterephthalate5292-47-7EINECS 226-135-7DTXSID102009731,4-Benzenedicarboxylic acid, 2-fluoro-, 1,4-dimethyl esterRefChem:588154DTXCID40123464226-135-72-fluoroterephthalic acid dimethyl esterdimethyl 2-fluorobenzene-1,4-dicarboxylateDimethyl fluoroterephthalate1,4-dimethyl 2-fluorobenzene-1,4-dicarboxylate

Show more names

DIM1845993,3'-MethylenebisindoleDimethyl2-fluoroterephthalate98%Dimethyl 2-fluoroterephthalate 98%

MFCD000422661,4-Benzenedicarboxylic acid, 2-fluoro-, dimethyl estermethyl 3-fluoro-4-(methoxycarbonyl)benzoateFT-06250565JJ8JJ46JASCHEMBL523320Dimethyl 2-fluorobenzene-1,4-dicarbdimethyl 2-fluorobenzene-1,4-dioate

Database identifiers

CAS: 5292-47-7
PubChem CID: 79178
DTXSID: DTXSID10200973
UNII: 5JJ8JJ46JA
EC Number: 226-135-7
Nikkaji: J297.982I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 254

Physicochemical properties

Melting point: 83 · 83-85 °C(lit.)
Boiling point: 80 · 80-90 °C0.35 mm Hg(lit.)
Density: 1.252 · 1.252±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: Powder
CAS DataBase Reference: 5292 · 5292-47-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 280 · P280-P261-P271
Hazard Codes: Xi
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29173990 · 29173990

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 (100%): 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 2 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.