CAS 204707-42-6 Methyl 4-fluoro-2-methoxybenzoate (HCID 10241478)

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Basic information

CAS: 204707-42-6
Standard SMILES: COC(=O)c1ccc(F)cc1OC
InChIKey: LJUAEPNTXDJBRX-UHFFFAOYSA-N
Molecular formula: C9H9FO3
Average molar mass: 184.16 g/mol
Monoisotopic mass: 184.05357237

Names & identifiers

Preferred name: Methyl 4-fluoro-2-methoxybenzoate
IUPAC: methyl 4-fluoro-2-methoxybenzoate
English name: 4-Fluoro-2-methoxybenzoic acid methyl ester
Molecular formula: C9H9FO3
Molecular weight: 184.16

Names & synonyms

Methyl 4-fluoro-2-methoxybenzoateBenzoic acid, 4-fluoro-2-methoxy-, methyl esterRefChem:816412606-563-4204707-42-64-Fluoro-2-methoxybenzoic acid methyl esterMFCD06203990Methyl 4-fluoro-2-methoxy-benzoateMethyl 2-methoxy-4-fluoro-benzoateSCHEMBL1146881Methyl4-fluoro-2-methoxybenzoateDTXSID70437147

Show more names

RARECHEM AL BF 1023Methyl 2-methoxy-4-fluorobenzoateMethyl 4-fluoro-2-Methoxybenzoate, 97+%2-Fluoro-2-methoxybenzoic acid methyl esterJR-13782, Methyl 4-fluoro-2-methoxybenzoate, 97%

LJUAEPNTXDJBRX-UHFFFAOYSA-NMethyl-4-fluoro-2-methoxybenzoateAKOS006282320AB23214CS-W017009AC-14741AS-40546DA-19348

Database identifiers

CAS: 204707-42-6
PubChem CID: 10241478
DTXSID: DTXSID70437147
EC Number: 606-563-4
Nikkaji: J2.723.252C

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 134 · 134-136°C
Boiling point: 232 ℃ · 232℃
Density: 1.184 · 1.184
Flash point: 91 ℃ · 91℃
storage temp.: Sealed in dry,Room Temperature
form: solid
Appearance: Off-white to yellow Solid-Liquid Mixture
InChI: InChI=1S/C9H9FO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
InChIKey: LJUAEPNTXDJBRX-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(F)C=C1OC
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.