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B-Phenoxyethyl bromide

CAT: 0286-P07520-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-P07520-02Size:25 g
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CAS Number
589-10-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00000234
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

Benzene, (2-bromoethoxy)-
CAS Number589-10-6
PubChem CID68526
IUPAC Name2-bromoethoxybenzene
Molecular FormulaC8H9BrO
Molecular Weight201.06
XLogP2.6
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity79
SMILES
C1=CC=C(C=C1)OCCBr
InChI
InChI=1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
JJFOBACUIRKUPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, (2-bromoethoxy)-
CAS: 589-10-6
CID: 68526
Formula: C8H9BrO
MW: 201.06
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight201.06
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass199.98368
Monoisotopic Mass199.98368
Topological Polar Surface Area9.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity79.3
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