Flurochloridone
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Basic information
- CAS
61213-25-0- Standard SMILES
O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1- InChIKey
OQZCSNDVOWYALR-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2F3NO
- Average molar mass
- 312.11 g/mol
- Monoisotopic mass
- 311.00915396
Overview
Flurochloridone is an organochlorine compound, a member of pyrrolidines and a member of (trifluoromethyl)benzenes. It has a role as a carotenoid biosynthesis inhibitor, a herbicide and an agrochemical.
Names & identifiers
- Preferred name
- Flurochloridone
- IUPAC
- 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
- English name
- Fluorochloridone
- Molecular formula
- C12H10Cl2F3NO
- Molecular weight
- 312.12
Names & synonyms
Flurochloridone61213-25-0Fluorochloridone3-Chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)pyrrolidin-2-oneRaiserRacer3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-oneDTXSID0041987AO023ZB1BP2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-DTXCID80219873-Chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)-2-pyrrolidinone
Show more names
r402444-CLTARacer 25（3RS，4RSClostene（3RS， 4RS
2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)-RefChem:141047R-40244262-661-3flurochloridone (ISO); 3-chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)pyrrolidin-2-oneFlurochloridonCaswell No. 721BC12H10Cl2F3NO
Database identifiers
- CAS
61213-25-0- PubChem CID
- 91677
- DTXSID
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Experimental & physicochemical properties
Pesticides
Herbicides
Active substance -> EU Pesticides database: Approved
Environmental transformation -> Pesticides (parent, predecessor)
LogP3.36
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 67.65 °C · 67.65°C
- Boiling point
- 212.5 °C · 212.5 °C
- Density
- 1.3924 · 1.3924 (estimate)
- Flash point
- 100 °C · >100 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -3.59 · -3.59±0.60(Predicted)
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
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 4.2% (3 of 72) of reports.
Danger
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
Hazard Traits - Reproductive Toxicity
2008/934/EC, 2011/34/EU, Reg. (EU) 2020/1295, Reg. (EU) 2021/745, Reg. (EU) 2022/708, Reg. (EU) 2023/918, Reg. (EU) No 540/2011
Hazard Classes and Categories
Acute Tox. 4 (88.9%)
Reproductive toxicity - category 1B
Repr. 1B
Safety data
- rtecs
- UY5746500
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07,GHS09
- hazard_code
- Xi
- safety_code
- 26-27-36/37/39
- Hazard statements
- H302-H317-H360FD-H410
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationPesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.
Uses & manufacturing
Use Classification
Pharmaceuticals
Environmental transformation -> Pesticides (parent, predecessor)
Applications
DescriptionFlurochloridone is a pre-emergence herbicide used to control a range of weeds in umbelliferous crops and other such as cereals and potatoes. It has a moderate aqueous solubility and is not considered volatile. Under certain conditions it can be persistent in soils but tends not to be in water-sediment systems. Data for human health suggests a low mammalian oral toxicity but there may be risks for reproduction/development and fluorochloridone is classified as a skin sensitiser. With the exception of algae where toxicity is high, toxicity is moderate for most species.
UsesFlurochloridone (FLC) is a monophenyl pyrrolidinone selective herbicide that can be used in herbicidal composition to control weed in crop fields. It is commonly used to inhibit weeds that occur during the growth of crop plants, such as grains, sunflowers, and potatoes.
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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