- InChI
- InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3
- InChI Key
- CVRALZAYCYJELZ-UHFFFAOYSA-N
- Formula
- C13H10BrCl2O2PS
- SMILES
-
COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1
ccccc1 - Molecular Weight1
- 412.07
- CAS
- 21609-90-5
- Other Names
-
- (.+/-.)-Leptophos
- Abar
- Fosvel
- K62-105
- MBCP
- NK 711
- O-(2,5-Dichloro-4-bromophenyl) O-methyl phenylthiophosphonate
- O-(4-Bromo-2,5-Dichlorophenyl) O-methyl phenylphosphonothioate
- O-Methyl O-2,5-dichloro-4-bromophenyl phenylthiophosphonate
- O-Methyl-O-(4-bromo-2,5-dichlorophenyl)phenyl thiophosphonate
- OMS 1438
- Oleophosvel
- Phenylphosphonothioic acid O-(4-bromo-2,5-dichlorophenyl) O-methyl ester
- Phosphonothioic acid, phenyl-, O-(4-bromo-2,5-dichlorophenyl) O-methyl ester
- Phosvel
- VCS 506
- Velsicol 506
- Velsicol VCS 506
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -5.66 | Aq. Sol... | |
| logPoct/wat | 5.416 | Crippen Calculated Property | |
| McVol | 237.040 | ml/mol | McGowan Calculated Property |
| Inp | [2486.00; 2495.00] |
|
|
| Inp | 2495.00 | NIST | |
| Inp | 2486.00 | NIST | |
| Inp | 2495.00 | NIST | |
| Inp | 2486.00 | NIST | |
| Tfus | [343.55; 347.14] | K |
|
| Tfus | 343.55 | K | Aq. Sol... |
| Tfus | 347.14 ± 0.20 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [31.35; 31.35] | kJ/mol | [345.60; 345.60] |
|
| ΔfusH | 31.35 | kJ/mol | 345.60 | NIST |
| ΔfusH | 31.35 | kJ/mol | 345.60 | NIST |
Similar Compounds
Find more compounds similar to Leptophos.
Sources
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