Bromophos-methyl solution - analytical standard, 10μg/mll in acetone , CAS No.2104-96-3

CAS: 2104-96-3 Cat. No.: B115372 Formula: C₈H₈BrCl₂O₃PS Molecular Weight: 366 Beilstein Registry Number: 1988276 EC Number: 218-277-3

GRADE & PURITY Analytical standard, 10μg/mll in acetone

Synonyms

BROMOFOS [HSDB]|O,O-Dimethyl-O-(2,5-dichlor-4-bromphenyl)-thionophosphat [German]|Thiophosphate de O,5-dichlorophenyle|Thiophosphate de O,O-dimethyle et de O-4-bromo-2,5-dichlorophenyle [French]|O-(4-Bromo-2,-dicloro-fenil)-O,O-dimetil-monotiofosfato|O-(4-Broom-2,O-dimethyl-monothiofosfaat|Sovinexion|Brofene|Monsanto CP 51969|Nexion LC 40|O-(4-Brom-2,O-dimethyl-monothiophosphat|O,O-Dimethyl-O-2,5-dichloro-4-bromophenyl phosphorothionate|Mexion|O-(4-Broom-2,5-dichloor-fenyl)-O,O-dimethyl-monothiofosfaat|Phenol,5-dichloro-, O-ester with O,O-dimethyl phosphorothioate|Nexion 40|Nexion 5G|O-(4-Bromo-2,5-dicloro-fenil)-O,O-dimetil-monotiofosfato|O,O-Dimethyl O-(4-bromo-2,5-dichlorophenyl) phosphorothioate|Bromo-phos-methyl|Bromophos-methyl|O-(4-Bromo-2,5-dichlorophenyl) O,O-dimethyl monothiophosphate|4-Bromo-2,5-dichlorophenyl dimethyl phosphorothionate|O,O-Dimethyl O-(2,5-dichloro-4-bromophenyl) thiophosphate|BROMOFOS [JAN]|Bromofos-methyl|BROMOPHOS [MI]|O,O-Dimethyl O-(2,5-dichloro-4-bromophenyl) phosphorothioate|Cx99|Phosphorothioic acid O-(4-bromo-2,5-dichlorophenyl) O,O-dimethyl ester|O,5-dichloro-4-bromophenyl) phosphorothioate|Bromofos|Bromofos [INN]|O-(4-Broom-2,5-dichloor-fenyl)-O,O-dimethyl-monothiofosfaat [Dutch]|(4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane|Bromophos [BSI:ISO]|O-(4-Bromo-2,5-dicloro-fenil)-O,O-dimetil-monotiofosfato [Italian]|Bromofosum [INN-Latin]|Bromophos methyl|O,5-dichloro-4-bromophenyl) thiophosphate|BROMOPHOS [ISO]|Brophene|Netal|O-(4-Bromo-2,O-dimethyl phosphorothioate|Phenol, 4-bromo-2,5-dichloro-, O-ester with O,O-dimethyl phosphorothioate|O,O-Dimethyl-O-(2,5-dichlor-4-bromphenyl)-thionophosphat|Thiophosphate de O,O-dimethyle et de O-4-bromo-2,5-dichlorophenyle|Metabrom|Cela S 1942|O-(4-Brom-2,5-dichlor-phenyl)-O,O-dimethyl-monothiophosphat [German]|Nexion LC40|Drillzid|Omexan|Bromofosum|O-(4-Brom-2,5-dichlor-phenyl)-O,O-dimethyl-monothiophosphat|O-(4-Bromo-2,5-dichlorophenyl) O,O-dimethyl phosphorothioate|Phosphorothioic acid,5-dichlorophenyl) O,O-dimethyl ester|Bruomophos [Russian]|O-(4-Bromo-2,5-dichlorophenyl) O,O-dimethyl thiophosphate #|Phosphorothioic acid, O-(4-bromo-2,5-dichlorophenyl) O,O-dimethyl ester|Bromovur|O,5-dichlorophenyl) phosphorothioate|O,O-Dimethyl-O-(2,5-dichloro-4-bromophenyl)phosphorothioate|BROMOPHOS|Nexagan|O-(4-bromo-2,5-dichlorophenyl)-O,O-dimethyl phosphorothioate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BROMOFOS [HSDB] | O,O-Dimethyl-O-(2,5-dichlor-4-bromphenyl)-thionophosphat [German] | Thiophosphate de O,5-dichlorophenyle | Thiophosphate de O,O-dimethyle et de O-4-bromo-2,5-dichlorophenyle [French] | O-(4-Bromo-2,-dicloro-fenil)-O,O-dimetil-monotiofosfato | O-(4-Broom-2,O-dimethyl-monothiofosfaat | Sovinexion | Brofene | Monsanto CP 51 Show more

Specifications & Purity

analytical standard, 10μg/mll in acetone

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

Pubchem Sid

528773484

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528773484

Canonical Smiles

COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl

IUPAC Name

(4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane

InChIKey

NYQDCVLCJXRDSK-UHFFFAOYSA-N

INCHI

1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3

Isomeric SMILES

COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl

WGK Germany

3

RTECS

TE7175000

UN Number

3077

Molecular Weight

366

Beilstein

1988276

Reaxy-Rn

1988276

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1988276&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters
        • Level5 Aryl thiophosphates
          • Level6 Phenyl thiophosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic thiophosphoric acids and derivatives
• Subclass: Thiophosphoric acid esters
• Intermediate Tree Nodes: Aryl thiophosphates
• Direct Parent: Phenyl thiophosphates
• Alternative Parents: Thiophosphate triesters Phenoxy compounds Dichlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Organooxygen compounds Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl thiophosphate - Phenoxy compound - 1,4-dichlorobenzene - Thiophosphate triester - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl group.
• External Descriptors: Organophosphorus insecticides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Slightly soluble in water, soluble in benzene, ether, and carbon tetrachloride.
• Flash Point(°F): >100 °C
• Flash Point(°C): >100°C
• Molecular Weight: 366.000 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 363.849 Da
• Monoisotopic Mass: 363.849 Da
• Topological Polar Surface Area: 59.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 276.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1