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P-Hydroxybenzoic acid sodium salt

CAT: 0286-H09910-01Size: 25 gDry Ice: NoHazardous: No
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CAS Number
114-63-6
Synonyms
Sodium p-hydroxybenzoate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00016530
Hazard Statement
H303 May be harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious 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

Sodium 4-hydroxybenzoate

Sodium 4-hydroxybenzoate is an organic sodium salt resulting from the replacement of the proton from the carboxy group of 4-hydroxybenzoic acid by a sodium ion. It has a role as a plant metabolite and an algal metabolite. It contains a 4-hydroxybenzoate.

CAS Number114-63-6
PubChem CID16219477
IUPAC Namesodium 4-hydroxybenzoate
Molecular FormulaC7H5NaO3
Molecular Weight160.10
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity130
SMILES
C1=CC(=CC=C1C(=O)[O-])O.[Na+]
InChI
InChI=1S/C7H6O3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
InChIKey
ZLVSYODPTJZFMK-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 4-hydroxybenzoate
CAS: 114-63-6
CID: 16219477
Formula: C7H5NaO3
MW: 160.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.10
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass160.01363830
Monoisotopic Mass160.01363830
Topological Polar Surface Area60.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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