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1216605-57-0 molecular structure
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1,2-dibromo-2,2-dichloroethyl bis(2H3)methyl phosphate

ChemBase ID: 174919
Molecular Formular: C4H7Br2Cl2O4P
Molecular Mass: 380.783741
Monoisotopic Mass: 377.78257469
SMILES and InChIs

SMILES:
P(=O)(OC(C(Cl)(Br)Cl)Br)(OC)OC
Canonical SMILES:
COP(=O)(OC(C(Br)(Cl)Cl)Br)OC
InChI:
InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
InChIKey:
BUYMVQAILCEWRR-UHFFFAOYSA-N

Cite this record

CBID:174919 http://www.chembase.cn/molecule-174919.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dibromo-2,2-dichloroethyl bis(2H3)methyl phosphate
IUPAC Traditional name
1,2-dibromo-2,2-dichloroethyl bis(2H3)methyl phosphate
Synonyms
Phosphoric Acid 1,2-Dibromo-2,2-dichloroethyl Dimethyl-d6 Ester
1,2-Dibromo-2,2-dichloroethyl Dimethyl-d6 Phosphate
Bromchlophos-d6
Bromex-d6
Dibrom-d6
ENT 24988-d6
Trumpet-d6
Naled-d6
CAS Number
1216605-57-0
PubChem SID
164230829
PubChem CID
46782418

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N245302 external link Add to cart
PubChem 46782418 external link
Data Source Data ID Price
TRC
N245302 external link Add to cart Please log in.
Data Source Data ID
PubChem 46782418 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.65178  LogD (pH = 7.4) 2.65178 
Log P 2.65178  Molar Refractivity 58.2459 cm3
Polarizability 23.810436 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
White Low-Melting Solid expand Show data source
Storage Condition
Amber Vial, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N245302 external link
A labelled cholinesterase inhibitor. Insecticide; acaricide.

REFERENCES

REFERENCES

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  • • Gaines, T.B., et al.: Toxicol. Appl. Pharmacol., 14, 515 (1969)
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PATENTS

PATENTS

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INTERNET

INTERNET

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