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Sodium p-chlorobenzoate

CAT: 0286-S04550-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-S04550-01Size:100 g
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CAS Number
3686-66-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00016523
Hazard Statement
H302 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 p-chlorobenzoate
CAS Number3686-66-6
PubChem CID23691027
IUPAC Namesodium 4-chlorobenzoate
Molecular FormulaC7H4ClNaO2
Molecular Weight178.55
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity132
SMILES
C1=CC(=CC=C1C(=O)[O-])Cl.[Na+]
InChI
InChI=1S/C7H5ClO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
InChIKey
GHMWZRWCBLXYBX-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium p-chlorobenzoate
CAS: 3686-66-6
CID: 23691027
Formula: C7H4ClNaO2
MW: 178.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.55
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass177.9797513
Monoisotopic Mass177.9797513
Topological Polar Surface Area40.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity132
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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Alternative Products

CatalogName
OR1870X-01Sodium 4-chlorobenzoate
OR10911X-01Sodium 3-chlorobenzoate
OR5177X-01Sodium 2-chlorobenzoate
OR98262Sodium 4-bromo-3-chlorobenzoate
LC-10013.1Sodium salicylate p.A.
LC-10310.2Sodium oxalate p.A.
LC-5469.1Sodium nitrate p.A.
LC-4112.3Sodium iodide p.A.
LC-5932.6Sodium chloride p.A.
LC-10011.2Sodium azide p.A.

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