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8-Phenoxyoctyl Bromide 97%

CAT: 0286-P07580Size: 10 gDry Ice: NoHazardous: No
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CAT#:0286-P07580Size:10 g
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CAS Number
52176-61-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00039207
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.
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

8-Phenoxyoctyl bromide
CAS Number52176-61-1
PubChem CID12959377
IUPAC Name8-bromooctoxybenzene
Molecular FormulaC14H21BrO
Molecular Weight285.22
XLogP5.2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Heavy Atom Count16
Formal Charge0
Complexity144
SMILES
C1=CC=C(C=C1)OCCCCCCCCBr
InChI
InChI=1S/C14H21BrO/c15-12-8-3-1-2-4-9-13-16-14-10-6-5-7-11-14/h5-7,10-11H,1-4,8-9,12-13H2
InChIKey
GSSAJHSMHLLHDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Phenoxyoctyl bromide
CAS: 52176-61-1
CID: 12959377
Formula: C14H21BrO
MW: 285.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.22
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass284.07758
Monoisotopic Mass284.07758
Topological Polar Surface Area9.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity144
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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