Basic information
- CAS
2164-08-1- Standard SMILES
O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2- InChIKey
ZTMKADLOSYKWCA-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- Lenacil
- IUPAC
- 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
- English name
- Lenacil
- Molecular formula
- C13H18N2O2
- Molecular weight
- 234.29
Names & synonyms
LENACIL2164-08-1Venzar3-Cyclohexyl-5,6-trimethyleneuracilDu Pont 634X58DK6S8KXCHEBI:6407DTXSID90420933-Cyclohexyl-6,7-dihydro-1H-cyclopentapyrimidine-2,4(3H,5H)-dione3-Cyclohexyl-1,5,6,7-tetrahydrocyclopentapyrimidine-2,4(3H)-dione3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dionehexylure
Show more names
ADOLVizorVanzarLenacileuracil634
3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta(d)pyrimidine-2,4-dioneRefChem:152739DTXCID7022093218-499-0ElbatanHexilureBuracylAdol (pesticide)
Database identifiers
- CAS
2164-08-1- PubChem CID
- 16559
- DTXSID
DTXSID9042093- ChEMBL
CHEMBL1522462- ChEBI
CHEBI:6407- UNII
- X58DK6S8KX
- EC Number
- 218-499-0
- Nikkaji
- J3.387A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 394
Experimental & physicochemical properties
Kovats Retention Index
2276；2284.1；2323.3；2280
2359；2328.7；2325.7；2350；2359
Collision Cross Section158.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9042093]
Physicochemical properties
- Melting point
- 316 · 316-326°C
- Boiling point
- 376.62 °C · 376.62°C (rough estimate)
- Density
- 20 · d20 1.32 kg/l
- refractive index
- 1.645 · 1.6450 (estimate)
- storage temp.
- 0 · 0-6°C
- form
- Solid
- pka
- 10.66 · 10.66±0.20(Predicted)
- color
- White to off-white
- Water Solubility
- 6 mg/L · 6mg/L(25 ºC)
- Merck
- 13 · 13,5455
Safety & regulation
GHS classification
GHS Classification
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Warning
Hazard information
Regulatory Information
Regulation (EC) No 1107/2009 (amended)
2008/69/EC, 2010/39/EU, Reg. (EU) 2015/408, Reg. (EU) 2018/1796, Reg. (EU) 2019/1589, Reg. (EU) 2020/1511, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011
Hazard Classes and Categories
Carc. 2 (60.2%)；Aquatic Acute 1 (98.1%)；Aquatic Chronic 1 (63%)
Carcinogenicity - category 2；Hazardous to the aquatic environment (acute) - category 1；Hazardous to the aquatic environment (chronic) - category 1
Carcinogenicity - Category 2
Carc. 2；Aquatic Acute 1；Aquatic Chronic 1
Regulatory information
Regulatory Information
Regulation (EC) No 1107/2009 (amended)
2008/69/EC, 2010/39/EU, Reg. (EU) 2015/408, Reg. (EU) 2018/1796, Reg. (EU) 2019/1589, Reg. (EU) 2020/1511, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- WGK 2
- rtecs
- GY5875000
Chemistry & industry
Uses & manufacturing
Use Classification
Pharmaceuticals
Environmental transformation -> Pesticides (parent, predecessor)
Applications
DescriptionLenacil is an uracil herbicide for selective weed control. It has a low solubility in water, has a high risk of leaching to groundwater based on its chemical properties and is semi-volatile. It is moderately persistent in soil and will persist in aquatic systems. It is not greatly toxic to mammals and is a known irritant, but no other significant human health issues have been identified. It is moderately toxic to birds, most aquatic organisms, honeybees and earthworms.
UsesLenacil acts similarly in weed control. It is used preplanting by soil incorporation or as a preemergence treatment of fodder, red beets, and sugar beets. The chemical is also used on spinach, strawberries, and various ornamentals. Usage rates range from 0.4 to 1.2 kg/ha depending on the crop and soil type.
UsesLenacil is an herbicide used in the protection of crops. Non-cytotoxic agent.
UsesHerbicide.
Upstream & downstream products
Upstream raw materials
Suppliers60 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
Related reactions
5 records
Compound notes
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