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Ethyl o-fluorobenzoate 97%

CAT: 0286-E09960Size: 10 gDry Ice: NoHazardous: No
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CAT#:0286-E09960Size:10 g
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CAS Number
443-26-5
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00039214
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Benzoic acid, 2-fluoro-, ethyl ester
CAS Number443-26-5
PubChem CID67953
IUPAC Nameethyl 2-fluorobenzoate
Molecular FormulaC9H9FO2
Molecular Weight168.16
XLogP2.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity159
SMILES
CCOC(=O)C1=CC=CC=C1F
InChI
InChI=1S/C9H9FO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey
RUWPGPOBTHOLHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoic acid, 2-fluoro-, ethyl ester
CAS: 443-26-5
CID: 67953
Formula: C9H9FO2
MW: 168.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.16
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass168.05865769
Monoisotopic Mass168.05865769
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-263191AEthyl 2-fluorobenzoate
449263-01Ethyl 4-Fluorobenzoate
sc-234973Ethyl 3-fluorobenzoate
MZA83553Ethyl 5-bromo-2-fluorobenzoate
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TRC-E899500-2.5GEthyl 4-amino-3-fluorobenzoate
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