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1 2 4-Benzenetriol 98%

CAT: 0286-B02290-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
533-73-3
Synonyms
1,2,4-Trihydroxybenzene
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002198
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

1,2,4-Benzenetriol

Benzene-1,2,4-triol is a benzenetriol carrying hydroxy groups at positions 1, 2 and 4. It has a role as a mouse metabolite.

CAS Number533-73-3
PubChem CID10787
IUPAC Namebenzene-1,2,4-triol
Molecular FormulaC6H6O3
Molecular Weight126.11
XLogP1.5
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity94
SMILES
C1=CC(=C(C=C1O)O)O
InChI
InChI=1S/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
InChIKey
GGNQRNBDZQJCCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,4-Benzenetriol
CAS: 533-73-3
CID: 10787
Formula: C6H6O3
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass126.031694049
Monoisotopic Mass126.031694049
Topological Polar Surface Area60.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity94.3
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

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