2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione

Modify Date: 2024-01-02 13:15:42

2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione Structure
2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione structure
Common Name 2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione
CAS Number 335104-84-2 Molecular Weight 440.82
Density 1.458g/cm3 Boiling Point 612.86ºC at 760 mmHg
Molecular Formula C17H16ClF3O6S Melting Point N/A
MSDS Chinese USA Flash Point 324.446ºC
Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning

 Use of 2-(2-Chloro-4-(methylsulfonyl)-3-((2,2,2-trifluoroethoxy)methyl)benzoyl)cyclohexane-1,3-dione


Tembotrione is a drug that may reduce theproductivity of carrots. Tembotrione has the activity of reducing carrot stemmass. Tembotrione can be used to study the total productivity of carrot[1].

 Names

Name tembotrione
Synonym More Synonyms

  Biological Activity

Description Tembotrione is a drug that may reduce theproductivity of carrots. Tembotrione has the activity of reducing carrot stemmass. Tembotrione can be used to study the total productivity of carrot[1].
Related Catalog
References

[1]. BontempoAF, et al. Residual tembotrione and atrazine in carrot. J Environ Sci Health B.2016 Jul 2;51(7):465-8.  

 Chemical & Physical Properties

Density 1.458g/cm3
Boiling Point 612.86ºC at 760 mmHg
Molecular Formula C17H16ClF3O6S
Molecular Weight 440.82
Flash Point 324.446ºC
Exact Mass 440.03100
PSA 102.96000
LogP 4.02420
Index of Refraction 1.519

 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: Tembotrione
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No.: 335104-84-2
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Skin sensitisation (Category 1), H317
Acute aquatic toxicity (Category 1), H400
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi, N Irritant, Dangerous for the R43, R50/53
environment
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordWarning
Hazard statement(s)
H317May cause an allergic skin reaction.
H400Very toxic to aquatic life.
Precautionary statement(s)
P273Avoid release to the environment.
P280Wear protective gloves.
Supplemental Hazardnone
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Synonyms: 2-{2-Chloro-4-mesyl-3-[(2,2,2-
trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione
2-[2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-
1,3-cyclohexanedione
Formula: C17H16ClF3O6S C17H16ClF3O6S
Molecular Weight: 440,82 g/mol
CAS-No.: 335104-84-2
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
Tembotrione
Skin Sens. 1; Aquatic Acute 1; -
H317, H400
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
Tembotrione
Xn, N, R43 - R50/53-
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Sulphur oxides, Hydrogen chloride gas, Hydrogen fluoride
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
the environment must be avoided.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: powder
Colour: beige, yellow
b) Odourodourless
c) Odour Thresholdno data available
d) pH3,6 at 24 °C
e) Melting point/freezing115 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative density1,56 g/cm3 at 20 °C
n) Water solubility28,3 g/l at 20 °C
o) Partition coefficient: n- POW: 0,0807; log Pow: -1,09 at 24 °C
octanol/water
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
Minimum ignition energy > 3 mJ
< 10 mJ
Solubility in otherAcetone 180,2 g/l at 20 °C
solventsToluene 46,7 g/l at 20 °C
Dissociation constant3,2

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
no data available
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
LD50 Oral - rat - > 2.000 mg/kg
LC50 Inhalation - rat - 4,58 mg/l
Dermal: no data available
Skin corrosion/irritation
Skin - rabbit
Result: No skin irritation
Serious eye damage/eye irritation
Eyes - rabbit
Result: No eye irritation
Respiratory or skin sensitisation
- guinea pig
May cause sensitisation by skin contact.
(OECD Test Guideline 406)
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available

SECTION 12: Ecological information
Toxicity
Toxicity to fishLC50 - Oncorhynchus mykiss (rainbow trout) - > 100 mg/l - 96,0 h
LC50 - Lepomis macrochirus (Bluegill) - > 100 mg/l - 96,0 h
LC50 - Cyprinodon variegatus (sheepshead minnow) - > 100 mg/l - 96,0 h
Toxicity to daphnia and EC50 - Daphnia - 49,8 mg/l - 48 h
other aquatic
invertebrates
Toxicity to algaeEC50 - Pseudokirchneriella subcapitata - 0,75 mg/l - 96 h
EC50 - Anabaena flosaquae - 67,0 mg/l - 72 h
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
Very toxic to aquatic life.

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: 3077IMDG: 3077IATA: 3077
UN proper shipping name
ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Tembotrione)
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Tembotrione)
IATA:Environmentally hazardous substance, solid, n.o.s. (Tembotrione)
Transport hazard class(es)
ADR/RID: 9IMDG: 9IATA: 9
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: yesIMDG Marine pollutant: yesIATA: yes
Special precautions for user
Further information
EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination
packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS07 GHS09
GHS07, GHS09
Signal Word Warning
Hazard Statements H317-H400
Precautionary Statements P280
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn,N
Risk Phrases 43-50/53
Safety Phrases 36/37-60-61
RIDADR UN 3077 9 / PGIII

 Articles1

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Isolation and characterization of Bradyrhizobium sp. SR1 degrading two β-triketone herbicides.

Environ. Sci. Pollut. Res. Int. 23 , 4138-48, (2016)

In this study, a bacterial strain able to use sulcotrione, a β-triketone herbicide, as sole source of carbon and energy was isolated from soil samples previously treated with this herbicide. Phylogene...

 Synonyms

2-{2-chloro-4-(methanesulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione
2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-1,3-cyclohexanedione
2-[2-chloro-3-[(2,2,2-trifluoroethoxy)methyl]-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione
UNII-WA5UZ202KS
2-({2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}carbonyl)cyclohexan-1,3-dione
Tembotrione [ISO]
2-[2-chloro-4-(methylsulphonyl)-3-[2,2,2-trifluoroethoxymethyl]benzoyl]-1,3-cyclohexanedione
Tembotrione
2-{2-chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione
2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione
2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]-benzoyl]-1,3-cyclohexanedione
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