Bromophos

C₈H₈BrCl₂O₃PSCAS 2104-96-3365.99 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈BrCl₂O₃PS
Molar mass: 365.99 g/mol
Exact mass: 363.8492 Da
Melting point: 53–54 °C
Boiling point: 140–142 °C (at 0.01 Torr)
Water solubility: 650 µg/L
logP: 4.65Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 015-108-00-3), via PubChem.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

2104-96-3

SMILES

COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl

InChIKey

NYQDCVLCJXRDSK-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

25 names · show all

Phosphorothioic acid, O-(4-bromo-2,5-dichlorophenyl) O,O-dimethyl ester
Cela S 1942
S 1942
O-(4-Bromo-2,5-dichlorophenyl) O,O-dimethyl phosphorothioate
4-Bromo-2,5-dichlorophenyl dimethyl phosphorothionate
O,O-Dimethyl O-(4-bromo-2,5-dichlorophenyl) phosphorothioate
O,O-Dimethyl-O-(2,5-dichloro-4-bromophenyl)phosphorothioate
O,O-Dimethyl O-(2,5-dichloro-4-bromophenyl) thiophosphate
EL 400
Nexion
Nexion 40
Bromofos
OMS 658
Nexion LC 40
Drillzid
Bromovur
Bromophos-methyl
Nexion 5G
Metabrom
Sovinexion
Omexan
Nexion 40EC
Nexion 25WP
O,O-Dimethyl O-(4-bromo-2,5-dichlorophenyl) phosphorothionate
NSC 527602

Work with Bromophos

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fenchlorphos299-84-373 % similar Bromophos-ethyl4824-78-668 % similar Leptophos21609-90-562 % similar Tolclofos-methyl57018-04-951 % similar Chlorpyrifos-methyl5598-13-050 % similar Dicapthon2463-84-549 % similar Chlorthiophos I60238-56-443 % similar Dichlofenthion97-17-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook