Butamifos
Basic information
- CAS
36335-67-8- Standard SMILES
CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+](=O)[O-]- InChIKey
OEYOMNZEMCPTKN-UHFFFAOYSA-N- Molecular formula
- C13H21N2O4PS
- Average molar mass
- 332.36 g/mol
- Monoisotopic mass
- 332.09596533
Overview
Butamifos is a C-nitro compound.
Names & identifiers
- Preferred name
- Butamifos
- IUPAC
- N-[ethoxy-(5-methyl-2-nitrophenoxy)phosphinothioyl]butan-2-amine
- English name
- BUTAMIFOS
- Molecular formula
- C13H21N2O4PS
- Molecular weight
- 332.36
Names & synonyms
Butamifos36335-67-8CREMARTMetacrefosKremartHercules 26905ButamiphosKHP91X76U4O-Ethyl O-(3-methyl-6-nitrophenyl) N-sec-butylphosphorothioamidateDTXSID5058068N-[ethoxy-(5-methyl-2-nitro-phenoxy)phosphinothioyl]butan-2-amineN-(ethoxy-(5-methyl-2-nitro-phenoxy)phosphinothioyl)butan-2-amine
Show more names
s28s2846DBA15h26905Cremarat
RefChem:121973DTXCID1031836TuflerS 28 (pesticide)S 28S 2846H 26905Phosphoramidothioic acid, (1-methylpropyl)-, O-ethyl O-(5-methyl-2-nitrophenyl) ester
Database identifiers
- CAS
36335-67-8- PubChem CID
- 37419
- DTXSID
DTXSID5058068- ChEMBL
CHEMBL2252179- ChEBI
CHEBI:3232- UNII
- KHP91X76U4
- EC Number
- 609-231-7
- Nikkaji
- J1.890B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Experimental & physicochemical properties
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
LogP4.62
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 422.1 · 422.1±55.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- pka
- -0.51 · -0.51±0.70(Predicted)
- BRN
- 2165895 · 2165895
- Henry's Law Constant
- 3.4 · 3.4×101 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 91 X76U4 · KHP91X76U4
- EPA Substance Registry System
- Phosphoramidothioic acid, (1-methylpropyl)-, O-ethyl O-(5-methyl-2-nitrophenyl) ester (36335-67-8)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity (Oral) - Category 4
Acute toxicity (Oral) - Category 4
Safety data
- wgk
- 3
- ridadr
- UN 3082 9 / PGIII
- hs_code
- 29299090
- risk_code
- 22-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 61
- Hazard statements
- H302-H410
- Precautionary statements
- P264-P270-P273-P301+P312-P391-P501
Chemistry & industry
Applications
DescriptionButamifos is an organophosphate herbicide used to control annual and graminaceous weeds. It has a low aqueous solubility but other environmental fate related data is scarce. Generally, butamifos is moderately toxic to biodiversity. It is also moderately toxic to mammals if ingested and is thought to be an acetyl cholinesterase inhibitor.
UsesButamifos (S-2846) is an organophosphoramidate herbicide used to control annual weeds with low toxicity to mammals. Butamifos acts on the growing points of susceptible plants, causing severe radial enlargement of the affected tissues[1].
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Butamifos is a C-nitro compound.
Suppliers
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Related reactions
2 records
Compound notes
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