1H-1,2,4-Triazole,1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-

物化性质

密度：

1.5g/cm3

沸点：

438.4ºC at 760mmHg

闪点：

219ºC

折射率：

1.543

蒸汽压：

6.91E-08mmHg at 25°C

安全信息

密度：

1.5g/cm3

沸点：

438.4ºC at 760mmHg

闪点：

219ºC

折射率：

1.543

蒸汽压：

6.91E-08mmHg at 25°C

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: Tetraconazole
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.: 112281-77-3
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
Acute toxicity, Oral (Category 4), H302
Acute toxicity, Inhalation (Category 4), H332
Chronic aquatic toxicity (Category 2), H411
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
Xn HarmfulR20/22
N Dangerous for theR51/53
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)
H302 + H332Harmful if swallowed or if inhaled
H411Toxic to aquatic life with long lasting effects.
Precautionary statement(s)
P273Avoid release to the environment.
Supplemental Hazardnone
Statements
Other hazards - none
SECTION 3: Composition/information on ingredients
Substances
Formula: C13H11Cl2F4N3O
Molecular Weight: 372,15 g/mol
CAS-No.: 112281-77-3
EC-No.: 407-760-6
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
(+/-) 2-(2,4-dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl-1,1,2,2-tetrafluoroethylether
Acute Tox. 4; Aquatic Chronic -
2; H302 + H332, H411
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, nitrogen oxides (NOx), 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 breathing vapours, mist or gas. Ensure adequate ventilation.
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
Soak up with inert absorbent material and dispose of as hazardous waste. 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 inhalation of vapour or mist.
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. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
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
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. 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: viscous
Colour: yellow
b) Odouraromatic
c) Odour Thresholdno data available
d) pH5,47
e) Melting point/freezingno data available
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 pressure0,0000018 hPa
l) Vapour densityno data available
m) Relative density1,4382 g/cm3 at 20 °C
n) Water solubility0,159 g/l at 20 °C
o) Partition coefficient: n- log Pow: 3,56 at 23 °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
Solubility in otherAcetone
solvents
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
Acids, Water, Reducing agents, Carbon oxides, Oxidizing agents
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 - male - 1.248 mg/kg
Inhalation: no data available
Dermal: no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
SECTION 12: Ecological information
Toxicity
Toxicity to fishLC50 - Lepomis macrochirus (Bluegill sunfish) - 5,8 mg/l - 96 h
- Oncorhynchus mykiss (rainbow trout) - 5,1 mg/l - 96 h
Toxicity to daphnia and EC50 - Daphnia magna (Water flea) - 2,63 mg/l - 48 h
other aquatic
invertebrates
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
Toxic to aquatic life with long lasting effects.
SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.
SECTION 14: Transport information
UN number
ADR/RID: 3082IMDG: 3082IATA: 3082
UN proper shipping name
ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. ((+/-) 2-(2,4-
dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl-1,1,2,2-tetrafluoroethylether)
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, LIQUID, N.O.S. ((+/-) 2-(2,4-
dichlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl-1,1,2,2-tetrafluoroethylether)
IATA:Environmentally hazardous substance, liquid, n.o.s. ((+/-) 2-(2,4-dichlorophenyl)-3-(1H-1,2,4-
triazol-1-yl)propyl-1,1,2,2-tetrafluoroethylether)
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

分子结构与计算化学数据

分子结构数据

1、摩尔折射率：78.02

2、摩尔体积（cm³/mol）：247.1

3、等张比容（90.2K）：612.7

4、表面张力（dyne/cm）：37.7

5、介电常数：无可用的

6、极化率（10^-24cm³）：30.93

7、单一同位素质量：371.02153 Da

8、标称质量：371 Da

9、平均质量：372.1456 Da

计算化学数据

1.疏水参数计算参考值（XlogP）:4.4

2.氢键供体数量:0

3.氢键受体数量:7

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积39.9

7.重原子数量:23

8.表面电荷:0

9.复杂度:381

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1