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P-Tolyl arsonic acid

CAT: 0286-T15735Size: 10 gDry Ice: NoHazardous: Yes
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CAT#:0286-T15735Size:10 g
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CAS Number
3969-54-8
UN Code
UN2811
Pictogram
06 - Acute Toxicity; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00058852
Hazard Statement
H301 Toxic if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H331 Toxic if inhaled; H335 May cause respiratory irritation; H400 Very toxic to aquatic life.
DOT Name
Toxic Solids, Organic, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGII
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; P273 Avoid release to the environment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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

p-Tolylarsonic acid
CAS Number3969-54-8
PubChem CID77588
IUPAC Name(4-methylphenyl)arsonic acid
Molecular FormulaC7H9AsO3
Molecular Weight216.07
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity167
SMILES
CC1=CC=C(C=C1)[As](=O)(O)O
InChI
InChI=1S/C7H9AsO3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3,(H2,9,10,11)
InChIKey
GODGOGGXLHQPBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Tolylarsonic acid
CAS: 3969-54-8
CID: 77588
Formula: C7H9AsO3
MW: 216.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.07
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass215.976764
Monoisotopic Mass215.976764
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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