Basic information
- CAS
119-12-0- Standard SMILES
CCOP(=S)(OCC)Oc1ccc(=O)n(-c2ccccc2)n1- InChIKey
CXJSOEPQXUCJSA-UHFFFAOYSA-N- Molecular formula
- C14H17N2O4PS
- Average molar mass
- 340.34 g/mol
- Monoisotopic mass
- 340.0646652
Overview
Pyridaphenthion is an organothiophosphate insecticide, a pyridazinone and an organic thiophosphate. It has a role as an agrochemical and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to a 6-hydroxy-2-phenylpyridazin-3-one.
Names & identifiers
- Preferred name
- Pyridaphenthion
- IUPAC
- 6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one
- English name
- Pyridaphenthion
- Molecular formula
- C14H17N2O4PS
- Molecular weight
- 340.33
Names & synonyms
PYRIDAPHENTHIONPyridafenthion119-12-0PyridiphenthionPhosphorothioic acid, O-(1,6-dihydro-6-oxo-1-phenyl-3-pyridazinyl) O,O-diethyl ester98M0VDD56ZDTXSID20423553(2H)-Pyridazinone, 6-hydroxy-2-phenyl-, O-ester with O,O-diethyl phosphorothioateCHEBI:38881O,O-diethyl O-(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl) phosphorothioateRefChem:177552DTXCID0022355
Show more names
OfunORESTEcl12503AC-12503ent23,968
o,o-diethyl o-(3-oxo-2-phenyl-2h-pyridazin-6-yl) phosphorothioate204-298-5OfunackOfnackOfnakAmerican cyanamid 12,503ENT 23,968CL 12503
Database identifiers
- CAS
119-12-0- PubChem CID
- 8381
- DTXSID
DTXSID2042355- ChEBI
CHEBI:38881- UNII
- 98M0VDD56Z
- EC Number
- 204-298-5
- Nikkaji
- J2.478C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 493
Experimental & physicochemical properties
Pesticides
Acaricides, Insecticides
Active substance -> EU Pesticides database: Not approved
Pesticide (Pyridaphenthion) -> USDA PDB
LogP3.2
Collision Cross Section175.12 Ų [M+H]+
Physicochemical properties
- Melting point
- 54.5 · 54.5~56.5℃
- Boiling point
- 416.2 · 416.2±28.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- vapor pressure
- 1.47 · 1.47×10-6 Pa (20 °C)
- Flash point
- -4 °C · -4 °C
- storage temp.
- 4 °C · APPROX 4°C
- Water Solubility
- 100 mg · 100mg l-1 （20°C）
- pka
- -2.09 · -2.09±0.40(Predicted)
- BRN
- 302741 · 302741
- Henry's Law Constant
- 5.1 · 5.1×104 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Major Application
- agriculture
- InChI
- InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
- InChIKey
- CXJSOEPQXUCJSA-UHFFFAOYSA-N
- SMILES
- P(=S)(OCC)(OCC)OC1=NN(C2=CC=CC=C2)C(=O)C=C1
- CAS DataBase Reference
- 119 · 119-12-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 98 M0VDD56Z · 98M0VDD56Z
- NIST Chemistry Reference
- Phosphorothioic acid, o-(1,6-dihydro-6-oxo-1-phenyl-3-pyridazinyl) o,o-diethyl ester(119-12-0)
- EPA Substance Registry System
- Pyridaphenthion (119-12-0)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P301+P312-P304+P340+P312
- target organs
- Central nervous system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xi,N,Xn
- Risk Statements
- 11 · 11-36-66-67-57-51/53-20/22
- Safety Statements
- 26 · 26-61-33-16
- RIDADR
- 2783 · 2783
- WGK Germany
- 3 · 3
- RTECS
- 2275000 · TF2275000
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 2STOT SE 3
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]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Hazard information
Regulatory Information2002/2076
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity (Oral) - Category 4
Hazardous to the aquatic environment (Acute) - Category 1
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- TF2275000
- ridadr
- 2783
- risk_code
- 11-36-66-67-57-51/53-20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F,Xi,N,Xn
- safety_code
- 26-61-33-16
- hazard_class
- 6.1(a)
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Central nervous system
- Hazard statements
- H302+H332
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P271-P301+P312-P304+P340+P312
Chemistry & industry
Applications
DescriptionPyridaphenthion is a pale yellow solid, mp 54.5–56 C, vp 0.00147 mPa (20 C). Solubility in water is 100 mg/L (20 C). It is very soluble in acetone, methanol, and diethyl ether. Log Kow = 3.2.
UsesPyridaphenthion is used to control a wide range of chewing and sucking insects and mites in rice, vegetables, fruit and ornamentals.
Upstream & downstream products
Upstream raw materials
Suppliers71 total
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
卓瑞宁（上海）科技有限公司18163338995 18163338995 · [email protected]
北京海岸鸿蒙标准物质技术有限责任公司13240431552 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广州和为医药科技有限公司17612033329 17612033329 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
湖北魏氏化学试剂股份有限公司13125137732 18686406941 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
曼哈格（上海）生物科技有限公司400-818 0104 18918165978 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司18916372613 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
南京罗迈美生物科技有限公司[email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
威尔曼医药集团有限公司15807197853 18971451745 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
武汉研哲科技有限公司15527250409 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海百舜生物科技有限公司021-37581181 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
北京坛墨质检科技有限公司010-52889049 · [email protected]
Additional notes
DefinitionChEBI: Pyridaphenthion is an organic thiophosphate, an organothiophosphate insecticide and a pyridazinone. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It is functionally related to a 6-hydroxy-2-phenylpyridazin-3-one.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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