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Sodium phenolate trihydrate 99%

CAT: 0286-S06690-02Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-S06690-02Size:25 g
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CAS Number
156150-40-2
UN Code
UN2905
Pictogram
05 - Corrosive; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00149636
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Phenolates, Solid
DOT Classification
Class 8
Packaging Group
PGIII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; 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; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; 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 Phenoxide Trihydrate
CAS Number156150-40-2
PubChem CID23681143
IUPAC Namesodium;phenoxide;trihydrate
Molecular FormulaC6H11NaO4
Molecular Weight170.14
Topological Polar Surface Area26.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity50
SMILES
C1=CC=C(C=C1)[O-].O.O.O.[Na+]
InChI
InChI=1S/C6H6O.Na.3H2O/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;;3*1H2/q;+1;;;/p-1
InChIKey
QAJGUMORHHJFNJ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium Phenoxide Trihydrate
CAS: 156150-40-2
CID: 23681143
Formula: C6H11NaO4
MW: 170.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.14
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass170.05550311
Monoisotopic Mass170.05550311
Topological Polar Surface Area26.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity50.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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