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1-Bromo-2 5-Dimethoxybenzene

CAT: 0286-B20451Size: 10 gDry Ice: NoHazardous: No
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CAT#:0286-B20451Size:10 g
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CAS Number
25245-34-5
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008355
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-bromo-1,4-dimethoxy-
CAS Number25245-34-5
PubChem CID91353
IUPAC Name2-bromo-1,4-dimethoxybenzene
Molecular FormulaC8H9BrO2
Molecular Weight217.06
XLogP2.8
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
COC1=CC(=C(C=C1)OC)Br
InChI
InChI=1S/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
InChIKey
DWCGNRKFLRLWCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzene, 2-bromo-1,4-dimethoxy-
CAS: 25245-34-5
CID: 91353
Formula: C8H9BrO2
MW: 217.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.06
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass215.97859
Monoisotopic Mass215.97859
Topological Polar Surface Area18.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
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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