Basic information
- CAS
42609-52-9- Standard SMILES
Cc1ccc(NC(=O)NC(C)(C)c2ccccc2)cc1- InChIKey
NNYRZQHKCHEXSD-UHFFFAOYSA-N- Molecular formula
- C17H20N2O
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.15756326
Overview
Daimuron is a member of ureas.
Names & identifiers
- Preferred name
- Daimuron
- IUPAC
- 1-(4-methylphenyl)-3-(2-phenylpropan-2-yl)urea
- English name
- DYMRON
- Molecular formula
- C17H20N2O
- Molecular weight
- 268.35
Names & synonyms
Daimuron42609-52-9DimuronDYMRONShowroneN-(4-Methylphenyl)-N'-(1-methyl-1-phenylethyl)ureaD9676S9U11DTXSID20580991-(1-methyl-1-phenylethyl)-3-p-tolylureaRefChem:130766DTXCID8031867610-042-7
Show more names
k223SK 223aimurondymron (jmaf)
Daimuron [ISO]1-(alpha,apha-Dimethylbenzyl)-3-(4-methylphenyl)ureaUrea, N-(4-methylphenyl)-N'-(1-methyl-1-phenylethyl)-DymroneShouronSK 23 (herbicide)SK 231-(4-methylphenyl)-3-(2-phenylpropan-2-yl)urea
Database identifiers
- CAS
42609-52-9- PubChem CID
- 39238
- DTXSID
DTXSID2058099- ChEMBL
CHEMBL2271525- ChEBI
CHEBI:81739- UNII
- D9676S9U11
- EC Number
- 610-042-7
- Nikkaji
- J1.052I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Experimental & physicochemical properties
PesticidesPesticide (Daimuron) -> USDA PDB
Physicochemical properties
- Melting point
- 201 · 201~206℃
- Boiling point
- 411.52 °C · 411.52°C (rough estimate)
- Density
- 1.0208 · 1.0208 (rough estimate)
- refractive index
- 1.5486 · 1.5486 (estimate)
- storage temp.
- 0 · 0-6°C
- pka
- 13.52 · 13.52±0.46(Predicted)
- Henry's Law Constant
- 9.9 · 9.9×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- FDA UNII
- 9676 S9U11 · D9676S9U11
- Toxicity
- 50 of · The acute oral LD50 of male rats is 4000mg/kg and that of male mice is 6500mg/kg; the acute percutaneous LD50 of rats and mice is about 3500mg/kg . No teratogenic, carcinogenic or mutagenic effects were found in chronic toxicity tests. Carp LC50 was 300mg/L (48h).
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Toxicity
- The acute oral LD50 of male rats is 4000mg/kg and that of male mice is 6500mg/kg; the acute percutaneous LD50 of rats and mice is about 3500mg/kg . No teratogenic, carcinogenic or mutagenic effects were found in chronic toxicity tests. Carp LC50 was 300mg/L (48h).
Chemistry & industry
Applications
DescriptionDaimuron is a grass weed herbicide which demonstrates a safening effect in rice especially against sulfonylurea herbicides. It has a low aqueous solubility but little other data is available related to its environmental fate. Data relating to its ecotoxicity and impact on human health is also scarce.
UsesDaimuron is a new substituted urea herbicides,it is absorbed by the roots of plants, which can significantly inhibit the elongation of roots and underground stems, so as to control the growth of the above-ground parts.It has special effects on sedge weeds, and can safely control the special-shaped weeds, triangular grasses, and cow hair grasses of crops such as rice, cotton, corn, soybeans, etc., with good results.
Upstream & downstream products
Upstream raw materials
Suppliers26 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
6 records
Compound notes
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