Monocrotophos
An alkenyl phosphate that is the 4-(methylamino)-4-oxobut-2-en-2-yl ester of dimethyl phosphate. — ChEBI
Safety documents & references
2 indexed referencesFind a product-specific SDS
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Identity & molecular properties
Source-linked values| CAS number | 6923-22-4 | ChEBI ↗ |
| Molecular formula | C7H14NO5P | ChEBI ↗ |
| Molar mass | 223.165 g/mol | ChEBI ↗ |
| Monoisotopic mass | 223.06096 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:38728 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 223.16 g/mol | PubChem ↗ |
| Exact mass | 223.06095954 Da | PubChem ↗ |
| Computed XLogP | -0.2 | PubChem ↗ |
| Topological polar surface area (Ų) | 73.9 | PubChem ↗ |
| H-bond donors | 1 | PubChem ↗ |
| H-bond acceptors | 5 | PubChem ↗ |
| Rotatable bonds | 5 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifiermonocrotophosdimethyl (1E)-1-methyl-3-(methylamino)-3-oxoprop-1-en-1-yl phosphateKRTSDMXIXPKRQR-AATRIKPKSA-NCNC(=O)/C=C(C)OP(=O)(OC)OCInChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Safety classification · Japan
NITE / Japanese governmentmonocrotophos · 77
| Endpoint | Reported classification |
|---|---|
| Acute toxicity （Oral） | Category 2 |
| Acute toxicity （Dermal） | Category 2 |
| Acute toxicity （Inhalation: Dusts and mists） | Category 1 |
| Germ cell mutagenicity | Category 2 |
| Specific target organ toxicity - Single exposure | Category 1 (nervous system) |
| Specific target organ toxicity - Repeated exposure | Category 1 (nervous system) |
Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.
Read the original NITE classificationMass ↔ amount of substance
Calculated from sourced massUses 223.165 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCOPHNCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.