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5-Bromo-4-Hydroxy-3-Methoxybenzaldehyde 97%

CAT: 0286-B21582-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-B21582-01Size:25 g
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CAS Number
2973-76-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00006940
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes 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

5-Bromovanillin
CAS Number2973-76-4
PubChem CID18099
IUPAC Name3-bromo-4-hydroxy-5-methoxybenzaldehyde
Molecular FormulaC8H7BrO3
Molecular Weight231.04
XLogP1.7
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
COC1=C(C(=CC(=C1)C=O)Br)O
InChI
InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
InChIKey
KLSHZDPXXKAHIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromovanillin
CAS: 2973-76-4
CID: 18099
Formula: C8H7BrO3
MW: 231.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.04
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass229.95786
Monoisotopic Mass229.95786
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
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
OR1162-013-Bromo-4-hydroxy-5-methoxybenzaldehyde
OR10881163-bromo-5-hydroxy-4-methoxybenzaldehyde
sc-2300372-Bromo-5-hydroxy-4-methoxybenzaldehyde
OR52694-015-Bromo-2-hydroxy-4-methoxybenzaldehyde
OR1035787-014-Bromo-2-hydroxy-5-methoxybenzaldehyde
OR1098283-015-Bromo-4-hydroxy-2-methoxybenzaldehyde
OR80438-012-Bromo-4-hydroxy-5-methoxybenzaldehyde
sc-2390275-Bromo-2-hydroxy-3-methoxybenzaldehyde
OR322363-013-Bromo-2-hydroxy-5-methoxybenzaldehyde
HY-401031-013-Bromo-2-hydroxy-4-methoxybenzaldehyde

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