Basic information
- CAS
2346-99-8- Standard SMILES
COP(=O)(OC1CCCCC1)Sc1ccc(Cl)cc1- InChIKey
NDRKNOADOZHUQR-UHFFFAOYSA-N- Molecular formula
- C13H18ClO3PS
- Average molar mass
- 320.77 g/mol
- Monoisotopic mass
- 320.0402803
Names & identifiers
- Preferred name
- Mhcp
- IUPAC
- 1-chloro-4-[cyclohexyloxy(methoxy)phosphoryl]sulfanylbenzene
- English name
- O-Cyclohexyl O-methyl S-(4-chlorophenyl) phosphorothioate
- Molecular formula
- C13H18ClO3PS
- Molecular weight
- 320.77
Names & synonyms
MHCP2346-99-8RefChem:1089738O-Cyclohexyl O-methyl S-(4-chlorophenyl) phosphorothioateBAY 5511BRN 2473631s-(4-chlorophenyl) o-cyclohexyl o-methyl phosphorothioatePhosphorothioic acid, O-cyclohexyl O-methyl S-(4-chlorophenyl) esterO-Methyl O-cyclohexyl (p-chlorophenyl)thiophosphateSCHEMBL29418349DTXSID10946127NDRKNOADOZHUQR-UHFFFAOYSA-N
Show more names
CerezinBAY-5511METHYLCYCLOHEXYL-4-CHLOROPHENYLTHIOPHOSPHATE1-chloro-4-(cyclohexyloxy-methoxy-phosphoryl)sulfanyl-benzenePhosphorothioic acid S-(4-chlorophenyl) O-cyclohexyl O-methylThiophosphoric acid S-(4-chlorophenyl)O-cyclohexyl O-methyl esterPhosphorothioic acid, S-(4-chlorophenyl) O-cyclohexyl O-methyl ester
Database identifiers
- CAS
2346-99-8- PubChem CID
- 75368
- DTXSID
DTXSID10946127- Nikkaji
- J2.147D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 404.8 · 404.8±47.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- Toxicity
- 50 oral · LD50 oral in rat: 160mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and CategoriesAcute toxicity (Oral) - Category 3
Safety data
- Toxicity
- LD50 oral in rat: 160mg/kg
Chemistry & industry
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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