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Ethyl 2-bromotetradecanoate 97%

CAT: 0286-E05850-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-E05850-01Size:5 g
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CAS Number
14980-92-8
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00026594
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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

Tetradecanoic acid, 2-bromo-, ethyl ester
CAS Number14980-92-8
PubChem CID85791
IUPAC Nameethyl 2-bromotetradecanoate
Molecular FormulaC16H31BrO2
Molecular Weight335.32
XLogP7.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity207
SMILES
CCCCCCCCCCCCC(C(=O)OCC)Br
InChI
InChI=1S/C16H31BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19-4-2/h15H,3-14H2,1-2H3
InChIKey
JQQZIRFEGUUJBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetradecanoic acid, 2-bromo-, ethyl ester
CAS: 14980-92-8
CID: 85791
Formula: C16H31BrO2
MW: 335.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.32
XLogP37.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass334.15074
Monoisotopic Mass334.15074
Topological Polar Surface Area26.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity207
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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