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Sodium b-naphthyl acid phosphate

CAT: 0286-S06270-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
31681-98-8
Synonyms
2-Naphthyl phosphate disodium salt
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00010585
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

2-Naphthalenol, 2-(dihydrogen phosphate), sodium salt (1:2)
CAS Number31681-98-8
PubChem CID169346
IUPAC Namedisodium;naphthalen-2-yl hydrogen phosphate
Molecular FormulaC10H8Na2O4P+
Molecular Weight269.12
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge1
Complexity260
SMILES
C1=CC=C2C=C(C=CC2=C1)OP(=O)(O)[O-].[Na+].[Na+]
InChI
InChI=1S/C10H9O4P.2Na/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10;;/h1-7H,(H2,11,12,13);;/q;2*+1/p-1
InChIKey
HZCLXKFIXXQHKE-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 2-Naphthalenol, 2-(dihydrogen phosphate), sodium salt (1:2)
CAS: 31681-98-8
CID: 169346
Formula: C10H8Na2O4P+
MW: 269.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight269.12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass268.99555929
Monoisotopic Mass268.99555929
Topological Polar Surface Area69.6 Ų
Heavy Atom Count17
Formal Charge1
Complexity260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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