Basic information
- Standard SMILES
CCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C- InChIKey
ITKAIUGKVKDENI-UHFFFAOYSA-N- Molecular formula
- C20H28ClN3O2
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.18700482
Overview
Pyrimidifen is an aminopyrimidine, a pyrimidinamine insecticide and a pyrimidinamine acaricide. It has a role as a mitochondrial NADH:ubiquinone reductase inhibitor.
Names & identifiers
- Preferred name
- Pyrimidifen
- IUPAC
- 5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amine
- English name
- Pyrimidifen
- Molecular formula
- C20H28ClN3O2
- Molecular weight
- 377.91
Names & synonyms
Pyrimidifen105779-78-0I21MX86B4X5-chloro-N-(2-(4-(2-ethoxyethyl)-2,3-dimethylphenoxy)ethyl)-6-ethyl-4-pyrimidinamine5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amineDTXSID9057925CHEBI:386045-chloro-N-{2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl}-6-ethylpyrimidin-4-amine5-chloro-n-(2-(4-(2-ethoxyethyl)-2,3-dimethylphenoxy)ethyl)-6-ethylpyrimidin-4-amineRefChem:177751DTXCID4031693600-677-8
Show more names
SU-9118-4-amineMITECLEANPyrimedifenPyrimidifen solutionPYRIMIDIFEN STANDARDpyrimidifen (bsi,iso)C16659300 PyrimidifenPyrimidifen Solution, 100ppm
Pyrimidifen [ISO:BSI]UNII-I21MX86B4XPYRIMIDIFEN [ISO]SCHEMBL84281SCHEMBL30179175MSK25074Pyrimidifen 10 |Ig/mL in AcetonitrilePyrimidifen 10 microg/mL in Acetonitrile
Database identifiers
- CAS
105779-78-0- PubChem CID
- 6451139
- DTXSID
DTXSID9057925- ChEBI
CHEBI:38604- UNII
- I21MX86B4X
- EC Number
- 600-677-8
- Nikkaji
- J1.029.416I
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Not approved
Physicochemical properties
- Melting point
- 157 · 157-161℃
- Boiling point
- 535.6 · 535.6±50.0 °C(Predicted)
- Density
- 1.45 · 1.45
- storage temp.
- 0 · 0-6°C
- pka
- 4.09 · 4.09±0.10(Predicted)
- BRN
- 11644658 · 11644658
- Henry's Law Constant
- 3.6 · 3.6×104 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)
- InChIKey
- ITKAIUGKVKDENI-UHFFFAOYSA-N
- SMILES
- CCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C
- FDA UNII
- 21 MX86B4X · I21MX86B4X
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H410
- Precautionary statements
- 273 · P273-P301+P310+P330
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-50/53
- Safety Statements
- 60 · 60-61
- RIDADR
- 2811 · UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
- WGK Germany
- 3 · 3
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralAquatic · Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity (Oral) - Category 3
Acute toxicity (Oral) - Category 3
Safety data
- wgk
- 3
- ridadr
- UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
- risk_code
- 22-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- Xn,N
- safety_code
- 60-61
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H410
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P273-P301+P310+P330
Chemistry & industry
Applications
UsesPyrimidifen is used as a pesticide.
UsesPyrimidifen is used as pesticide.
Suppliers21 total
奥夫仑医药（四川）有限公司17336178085 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493
凯试(上海)科技有限公司021-50135380 · [email protected]
上海毕楷科技有限公司18516304666
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南通众合化工新材料有限公司0513-85666561 15950816326 · [email protected]
Additional notes
DefinitionChEBI: Pyrimidifen is a pyrimidinamine insecticide, a pyrimidinamine acaricide and an aminopyrimidine. It has a role as a mitochondrial NADH:ubiquinone reductase inhibitor.
Related reactions
3 records
Linked notes
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