dimethyl phosphate - CAS 813-78-5
Catalog: |
BB043844 |
Product Name: |
dimethyl phosphate |
CAS: |
813-78-5 |
Synonyms: |
AURORA KA-1624; DIMETHYL HYDROGEN PHOSPHATE; DIMETHYL PHOSPHATE; DI(METHYL)PHOSPHORIC ACID; PHOSPHORIC ACID DIMETHYL ESTER; Dimethyl acid phosphate; Methyl phosphate ((MeO)2(HO)PO); O,O-Dimethyl hydrogen phosphate |
IUPAC Name: | dimethyl hydrogen phosphate |
Description: | dimethyl phosphate (CAS# 813-78-5 ) is a useful research chemical. |
Molecular Weight: | 126.05 |
Molecular Formula: | C2H7O4P |
Canonical SMILES: | COP(=O)(O)OC |
InChI: | InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4) |
InChI Key: | KKUKTXOBAWVSHC-UHFFFAOYSA-N |
Boiling Point: | 342 to 349 °F at 760 mmHg (decomposes) |
Flash Point: | greater than 200 °F |
Purity: | 98 % |
Density: | 1.323 g/cm3 |
Appearance: | Syrupy pale yellow liquid. |
GHS Hazard Statement: | H302+H312 (97.44%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]; H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (97.44%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P313, P362+P364, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 81.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.0081957 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.0081957 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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