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3-Chloro-4-hydroxybenzoic acid 97%

CAT: 0286-C13010-01Size: 10 gDry Ice: NoHazardous: No
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CAS Number
3964-58-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00002549
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

3-Chloro-4-hydroxybenzoic acid

3-chloro-4-hydroxybenzoic acid has been reported in Bjerkandera adusta with data available.

CAS Number3964-58-7
PubChem CID19860
IUPAC Name3-chloro-4-hydroxybenzoic acid
Molecular FormulaC7H5ClO3
Molecular Weight172.56
XLogP2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity160
SMILES
C1=CC(=C(C=C1C(=O)O)Cl)O
InChI
InChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
InChIKey
QGNLHMKIGMZKJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloro-4-hydroxybenzoic acid
CAS: 3964-58-7
CID: 19860
Formula: C7H5ClO3
MW: 172.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.56
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass171.9927217
Monoisotopic Mass171.9927217
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity160
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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