(3-Methoxybenzyl)triphenylphosphonium Chloride - CAS 18880-05-2
Catalog: |
BB014549 |
Product Name: |
(3-Methoxybenzyl)triphenylphosphonium Chloride |
CAS: |
18880-05-2 |
Synonyms: |
(3-methoxyphenyl)methyl-triphenylphosphonium;chloride; (3-methoxyphenyl)methyl-triphenylphosphanium;chloride |
IUPAC Name: | (3-methoxyphenyl)methyl-triphenylphosphanium;chloride |
Description: | (3-Methoxybenzyl)triphenylphosphonium Chloride (CAS# 18880-05-2) is an intermediate used in the synthesis of 2-Hydroxychrysene (H905340), which is a hydroxylated metabolite of Chrysene (C428000). Binding activity of 2-Hydroxychrysene to estrogenic receptor induces toxicity. |
Molecular Weight: | 418.89 |
Molecular Formula: | C26H24ClOP |
Canonical SMILES: | COC1=CC=CC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-] |
InChI: | InChI=1S/C26H24OP.ClH/c1-27-23-13-11-12-22(20-23)21-28(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26;/h2-20H,21H2,1H3;1H/q+1;/p-1 |
InChI Key: | DPYDLIVUYPUXBV-UHFFFAOYSA-M |
MDL: | MFCD09836189 |
LogP: | 2.19330 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102151214-B1 | A multi layer sheet manufacturing plastic foam and plastic form using thereof | 20200327 |
KR-102151215-B1 | A multi layer sheet manufacturing plastic foam and plastic form using thereof | 20200327 |
EP-3798215-A1 | Covalent printing by photo-triggered click ligation | 20190926 |
CN-110256757-A | A kind of quaternary alkylphosphonium salt composite antibacterial EVA shoe cushion material and preparation method thereof | 20190516 |
WO-2020212697-A1 | Inhibitor compounds | 20190415 |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 418.1253301 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 418.1253301 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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