3,4-Dimethylphenylphosphonic acid - CAS 53104-47-5
Catalog: |
BB043754 |
Product Name: |
3,4-Dimethylphenylphosphonic acid |
CAS: |
53104-47-5 |
Synonyms: |
NSC157372; SCHEMBL3347914; Phosphonic acid, P-(3,4-dimethylphenyl)- |
IUPAC Name: | (3,4-dimethylphenyl)phosphonic acid |
Description: | 3,4-Dimethylphenylphosphonic acid (CAS# 53104-47-5 ) is a useful research chemical. |
Molecular Weight: | 186.15 |
Molecular Formula: | C8H11O3P |
Canonical SMILES: | CC1=C(C=C(C=C1)P(=O)(O)O)C |
InChI: | InChI=1S/C8H11O3P/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11) |
InChI Key: | URNJCFQYNKGNLX-UHFFFAOYSA-N |
Purity: | 98 % |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04458121 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04458121 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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