Cyanofenphos
Basic information
- CAS
13067-93-1- Standard SMILES
CCOP(=S)(Oc1ccc(C#N)cc1)c1ccccc1- InChIKey
LRNJHZNPJSPMGK-UHFFFAOYSA-N- Molecular formula
- C15H14NO2PS
- Average molar mass
- 303.3 g/mol
- Monoisotopic mass
- 303.04828686
Overview
Cyanofenphos is a nitrile and a member of benzenes.
Names & identifiers
- Preferred name
- Cyanofenphos
- IUPAC
- 4-[ethoxy(phenyl)phosphinothioyl]oxybenzonitrile
- English name
- CYANOFENPHOS
- Molecular formula
- C15H14NO2PS
- Molecular weight
- 303.32
Names & synonyms
CYANOFENPHOS13067-93-1CyanophenphosSurecide1X6JV2NE2NS-4087Phenylphosphonothioic acid, O-(4-cyanophenyl) O-ethyl esterDTXSID5041805RefChem:580150O-p-cyanophenyl O-ethyl phenylphosphonothioateO-ethyl O-(4-cyanophenyl)phenylphosphonothioateDTXCID3021805
Show more names
CYPSUDPPIGs4087SRCypSCAF10cp19699b-10094OMS 870Surazon
Monsanto CP-19699Cyanofenphos [ISO]Stauffer B-10094Upjohn U-32714Experimental insecticide S-4087O-(4-Cyanophenyl) O-ethyl phenylphosphonothioateENT 25,832-aS 4087
Database identifiers
- CAS
13067-93-1、34460-46-3、62421-61-8、62421-62-9、62421-63-0- PubChem CID
- 25669
- DTXSID
DTXSID5041805- ChEMBL
CHEMBL2271087- ChEBI
CHEBI:82112- UNII
- 1X6JV2NE2N
- EC Number
- 620-377-0
- Nikkaji
- J3.433I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
LogP4.29
Ionization Efficiency
Positive
2.04
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Physicochemical properties
- Melting point
- 93 · 93-96℃
- Boiling point
- 423.7 · 423.7±47.0 °C(Predicted)
- Density
- 1.26 · 1.26
- refractive index
- 25 · nD25 1.5839
- Flash point
- 100 °C · >100 °C
- storage temp.
- 4 °C · APPROX 4°C
- form
- solid
- Water Solubility
- 0.6 mg/L · 0.6mg/L(30 ºC)
- BRN
- 2945855 · 2945855
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 1 X6JV2NE2N · 1X6JV2NE2N
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
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P308+P316, P317, P321, P330, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P308+P316, P317, P321, P330, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Acute Tox. 3 (97.4%)
Specific target organ toxicity (single exposure) - category 1
Acute toxicity (Oral) - Category 2
Acute toxicity (Oral) - Category 2
Acute Tox. 3 *
Safety data
- wgk
- 2
- rtecs
- TB1750000
- ridadr
- 2783
- Toxicity
- LD50 in mice (mg/kg): 46 orally, 145 s.c., 45 i.p.; LD50 in male, female rats (mg/kg): 60, 28.5 orally (Nishizawa)
- risk_code
- 21-25-36-39/25-51/53-20/21/22-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T,N,Xn,F
- safety_code
- 36/37-45-61-26-16
- hazard_class
- 6.1(a)
- packing_group
- II
Chemistry & industry
Applications
UsesInsecticide.
UsesCyanofenphos is an agricultural pesticide used in the protection against insects and fungal diseases.
DescriptionCyclophilin-G Human Recombinant produced in E.Coli is a single, non-glycosylated, polypeptide chain containing 195 amino acids (1-175 a.a.) and having a molecular mass of 21.6 kDa. Cyclophilin-G is fused to a 20 amino acid His Tag at N-terminus and is purified by proprietary chromatographic techniques.
Additional notes
DefinitionChEBI: Cyanofenphos is a nitrile and a member of benzenes.
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