Flurochloridone

HCID 91677CAS 61213-25-0
Substructure searchFind similar structures

Basic information

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
DTXSID0041987
ChEMBL
CHEMBL2272973
ChEBI
CHEBI:5131
EC Number
262-661-3
Nikkaji
J265.193I

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19

Experimental & physicochemical properties

Pesticides · 3 items

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)

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 2 items

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 · 3 items

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

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 · 2 items

Pharmaceuticals

Environmental transformation -> Pesticides (parent, predecessor)

Applications · 2 items

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

Suppliers50 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Additional notes

DefinitionChEBI: Flurochloridone is a member of pyrrolidines, a member of (trifluoromethyl)benzenes and an organochlorine compound. It has a role as a carotenoid biosynthesis inhibitor, an agrochemical and a herbicide.

Related reactions

4 records
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Linked notes

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