Mon-4660
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Basic information
- CAS
71526-07-3- Standard SMILES
O=C(C(Cl)Cl)N1CCOC12CCCCC2- InChIKey
QWWHRELOCZEQNZ-UHFFFAOYSA-N- Molecular formula
- C10H15Cl2NO2
- Average molar mass
- 252.13 g/mol
- Monoisotopic mass
- 251.0479841
Overview
MON 4660 (Dichloroacetyl-1-oxa-4-azaspiro(4,5)-decane) can cause cancer according to The Environmental Protection Agency (EPA).
Names & identifiers
- Preferred name
- Mon-4660
- IUPAC
- 2,2-dichloro-1-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethanone
- English name
- AD-67 Antidote
- Molecular formula
- C10H15Cl2NO2
- Molecular weight
- 252.14
Names & synonyms
71526-07-3AD-67 AntidoteMON-46604-(Dichloroacetyl)-1-oxa-4-azaspiro[4.5]decaneDTXSID00445751-Oxa-4-azaspiro[4.5]decane, 4-(dichloroacetyl)-4-(Dichloroacetyl)-1-oxa-4-azaspiro(4.5)decane8N0LX6A687AD 67MON 46604-dichloroacetyl-1-oxa-4-azaspiro[4.5]decaneDTXCID8024575
Show more names
AD-67MON4660AD-67safenerAD-67/MON-4660Herbicide Safener AD-67Adefovir Impurity 43-d4Paederia scandens extractChicken dung vine extract1-oxa-4-azaspiro(4,5)decane,-dichloroacetyl-
4-dichloroacetyl-1-oxa-4-azaspiro(4.5)decaneEC 401-130-41-Oxa-4-azaspiro(4.5)decane, 4-(dichloroacetyl)-Ethanone, 2,2-dichloro-1-(1-oxa-4-azaspiro(4.5)dec-4-yl)-4-(DICHLOROACETYL)-1-OXO-4-AZASPIRO(4.5)DECANEEthanone, 2,2-dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)-RefChem:819202401-130-4
Database identifiers
- CAS
71526-07-3- PubChem CID
- 3482402
- DTXSID
DTXSID0044575- ChEMBL
CHEMBL2269061- UNII
- 8N0LX6A687
- EC Number
- 401-130-4、615-301-8
- Nikkaji
- J665.757E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 371.5 · 371.5±42.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -1.38 · -1.38±0.20(Predicted)
- form
- crystalline powder
- color
- White
- InChI
- InChI=1S/C10H15Cl2NO2/c11-8(12)9(14)13-6-7-15-10(13)4-2-1-3-5-10/h8H,1-7H2
- InChIKey
- QWWHRELOCZEQNZ-UHFFFAOYSA-N
- SMILES
- C(=O)(N1C2(CCCCC2)OCC1)C(Cl)Cl
- CAS DataBase Reference
- 71526 · 71526-07-3(CAS DataBase Reference)
- FDA UNII
- 8 N0LX6A687 · 8N0LX6A687
- Pesticides Freedom of Information Act (FOIA)
- 4660 · MON 4660
- EPA Substance Registry System
- 4 · 4-(Dichloroacetyl)-1-oxa-4-azaspiro(4.5)decane (71526-07-3)
- Symbol(GHS)
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
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Hazard Traits - Carcinogenicity
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 4-dichloroacetyl-1-oxa-4-azaspiro[4.5]decane (EC: 401-130-4)
1-Oxa-4-azaspiro[4.5]decane, 4-(dichloroacetyl)-: Non hazardous
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin sensitisation - category 1
Skin Sens. 1
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H302-H315-H319-H332-H335-H351-H361
- REACH Registrations
- Inactive
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 2,2-dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)-: INACTIVE
Applications
UsesAD-67 (MON-4660) is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
General DescriptionAD-67 Antidote (MON-4660) is a herbicide safener for use with halogenated acetanilide herbicides, including dichloroacetamide.
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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