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Dimethyl phosphate

CAT: 0286-D44180Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-D44180Size:5 g
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CAS Number
813-78-5
Synonyms
Dimethyl hydrogen phosphate
UN Code
UN2920
Pictogram
02 - Flammable; 05 - Corrosive; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00014887
Hazard Statement
H226 Flammable liquid and vapor; 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
Corrosive Liquid, Flammable, N.O.S.
DOT Classification
Class 8, 3
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; 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; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

Dimethyl phosphate

Dimethylphosphate is a dialkyl phosphate.

CAS Number813-78-5
PubChem CID13134
IUPAC Namedimethyl hydrogen phosphate
Molecular FormulaC2H7O4P
Molecular Weight126.05
XLogP-1.2
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity81
SMILES
COP(=O)(O)OC
InChI
InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)
InChIKey
KKUKTXOBAWVSHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl phosphate
CAS: 813-78-5
CID: 13134
Formula: C2H7O4P
MW: 126.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.05
XLogP3-1.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass126.00819570
Monoisotopic Mass126.00819570
Topological Polar Surface Area55.8 Ų
Heavy Atom Count7
Formal Charge0
Complexity81.7
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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