Basic information
- CAS
16759-59-4- Standard SMILES
CCOP(=S)(OCC)SCc1nc2cc(Cl)cc(Cl)c2o1- InChIKey
KEZAYQGUTKCBLO-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2NO3PS2
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 384.952978
Overview
Benoxafos is a small molecule drug. Benoxafos has a monoisotopic molecular weight of 384.95 Da.
Names & identifiers
- Preferred name
- Benoxafos
- IUPAC
- (5,7-dichloro-1,3-benzoxazol-2-yl)methylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane
- English name
- Benoxafos
- Molecular formula
- C12H14Cl2NO3PS2
- Molecular weight
- 386.25
Names & synonyms
Benoxafos16759-59-4BenoxafosumLF2DT5DL6HDTXSID7057995O,O-Diethyl-S-(5,7-dichlorobenzoxazol-2-ylmethyl)dithiophosphateRefChem:117018DTXCID5031763Benoxafos [INN]HOE 2910Phosphorodithioic acid, S-[(5,7-dichloro-2-benzoxazolyl)methyl] O,O-diethyl esterS-((5,7-Dichlorobenzoxazol-2-yl)methyl) O,O-diethyl phosphorodithioate
Show more names
BatestanBENOXPHOSS-[(5,7-Dichloro-2-benzoxazolyl)methyl] O,O-diethyl phosphorodithioateDithiophosphoric acid S-[(5,7-dichlorobenzoxazol-2-yl)methyl]O,O-diethyl esterDithiophosphoric acid O,O-diethyl S-[(5,7-dichlorobenzoxazol-2-yl)methyl] ester(5,7-dichlorobenzooxazol-2-yl)methylsulfanyl-diethoxy-sulfanylidene-ph osphorane
(5,7-dichloro-1,3-benzoxazol-2-yl)methylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphaneBenoxafosum [INN-Latin]UNII-LF2DT5DL6HSCHEMBL161284orb1707576CHEMBL2107652AKOS030526643S-((5,7-dichlorobenzo[d]oxazol-2-yl)methyl) O,O-diethyl phosphorodithioate
Database identifiers
- CAS
16759-59-4- PubChem CID
- 65629
- DTXSID
DTXSID7057995- ChEMBL
CHEMBL2107652- UNII
- LF2DT5DL6H
- EC Number
- 808-551-6
- Nikkaji
- J9.052B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Boiling point
- 443.7 · 443.7±55.0 °C(Predicted)
- Density
- 1.46 · 1.460±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in DMSO
- pka
- -2.62 · -2.62±0.30(Predicted)
- FDA UNII
- 2 DT5DL6H · LF2DT5DL6H
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H413
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-53
- Safety Statements
- 26 · 26
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38-53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319-H335-H315-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesBenoxafos (HOE 2910) is an insecticide.
Suppliers9 total
MedChemexpress LLC021-58955995 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Musechem+1-800-259-7612 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
西安齐岳生物科技有限公司400-400-6966-012-012 17778955912 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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