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Barium dihydrogen phosphate

CAT: 0286-B00156-01Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:0286-B00156-01Size:1 g
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CAS Number
13466-20-1
UN Code
UN1564
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00210011
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.
ITAR USML
N
DOT Name
Barium Compounds, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P271 Use only outdoors or in a well-ventilated area; 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

Barium bis(dihydrogenorthophosphate)
CAS Number13466-20-1
PubChem CID13726205
IUPAC Namebarium(2+);bis(dihydrogen phosphate)
Molecular FormulaBaH4O8P2
Molecular Weight331.30
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity49
SMILES
OP(=O)(O)[O-].OP(=O)(O)[O-].[Ba+2]
InChI
InChI=1S/Ba.2H3O4P/c;2*1-5(2,3)4/h;2*(H3,1,2,3,4)/q+2;;/p-2
InChIKey
IOPOLWHQYJSKCT-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Barium bis(dihydrogenorthophosphate)
CAS: 13466-20-1
CID: 13726205
Formula: BaH4O8P2
MW: 331.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.30
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass331.843388
Monoisotopic Mass331.843388
Topological Polar Surface Area161 Ų
Heavy Atom Count11
Formal Charge0
Complexity49.8
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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