22001-17-8

22001-17-8 structure
22001-17-8 structure
  • Name: 1-Azido-3-(trifluoromethyl)benzene solution
  • Chemical Name: 1-azido-3-(trifluoromethyl)benzene
  • CAS Number: 22001-17-8
  • Molecular Formula: C7H4F3N3
  • Molecular Weight: 187.12200
  • Create Date: 2018-03-20 08:00:00
  • Modify Date: 2024-01-03 11:47:00

Name 1-azido-3-(trifluoromethyl)benzene
Synonyms 3-Trifluoromethylphenylazide
1-Azido-3-(trifluoromethyl)benzene
m-Azido-|A,|A,|A-trifluorotoluene solution
Molecular Formula C7H4F3N3
Molecular Weight 187.12200
Exact Mass 187.03600
PSA 49.75000
LogP 3.09996

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: 1-Azido-3-(trifluoromethyl)benzene solution
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.
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
Flammable liquids (Category 2), H225
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Specific target organ toxicity - repeated exposure (Category 1), H372
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
F Highly flammableR11
T ToxicR48/23/24/25
Xi IrritantR38
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 wordDanger
Hazard statement(s)
H225Highly flammable liquid and vapour.
H315Causes skin irritation.
H319Causes serious eye irritation.
H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statement(s)
P210Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P314Get medical advice/ attention if you feel unwell.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)F Highly flammable
T Toxic
R-phrase(s)
R11Highly flammable.
R38Irritating to skin.
R48/23/24/25Toxic: danger of serious damage to health by prolonged exposure
through inhalation, in contact with skin and if swallowed.
S-phrase(s)
S16Keep away from sources of ignition - No smoking.
Other hazards - none

SECTION 3: Composition/information on ingredients
Mixtures
Synonyms: 3-(Trifluoromethyl)phenyl azide solution
m-Azido-α,α,α-trifluorotoluene solution
Molecular Weight: 187,12 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
tert-Butyl methyl ether
CAS-No.1634-04-4Flam. Liq. 2; Skin Irrit. 2;50 - 100 %
EC-No.216-653-1H225, H315
Index-No.603-181-00-X
1-Azido-3-(trifluoromethyl)benzene
CAS-No.22001-17-8Self-react. B; Skin Irrit. 2; Eye10 - 20 %
Irrit. 2; STOT SE 3; STOT RE
1; H241, H315, H319, H335,
H372
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
tert-Butyl methyl ether
CAS-No.1634-04-4F, Xi, R11 - R3850 - 100 %
EC-No.216-653-1
Index-No.603-181-00-X
1-Azido-3-(trifluoromethyl)benzene
CAS-No.22001-17-8T, R 5 - R36/37/38 -10 - 20 %
R48/23/24/25
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. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. 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 fluoride
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

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.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
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.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
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.
Recommended storage temperature: -20 °C
Light sensitive.
Specific end use(s)
Apart 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.
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0,4 mm
Break through time: 120 min
Material tested:Camatril® (KCL 730 / Z677442, Size M)
data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300, test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
contact the supplier of the CE approved gloves. This recommendation is advisory only and must
be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
anticipated use by our customers. It should not be construed as offering an approval for any
specific use scenario.
Body Protection
Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, 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.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: clear, liquid
Colour: colourless
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
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 pressureno data available
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityno data available
o) Partition coefficient: n- no data available
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
no data available

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
Heat, flames and sparks. Extremes of temperature and direct sunlight.
Incompatible materials
Strong 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
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:3 - Group 3: Not classifiable as to its carcinogenicity to humans (tert-Butyl methyl ether)
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.
Central nervous system - (tert-Butyl methyl ether)

SECTION 12: Ecological information
Toxicity
no data available
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
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. 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: 2398IMDG: 2398IATA: 2398
UN proper shipping name
ADR/RID: METHYL tert-BUTYL ETHER, SOLUTION
IMDG: METHYL tert-BUTYL ETHER, SOLUTION
IATA:Methyl tert-butyl ether, SOLUTION
Transport hazard class(es)
ADR/RID: 3IMDG: 3IATA: 3
Packaging group
ADR/RID: IIIMDG: IIIATA: II
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Eye Irrit.Eye irritation
Flam. Liq.Flammable liquids
H225Highly flammable liquid and vapour.
H241Heating may cause a fire or explosion.
H315Causes skin irritation.
H319Causes serious eye irritation.
H335May cause respiratory irritation.
H372Causes damage to organs through prolonged or repeated exposure.
Self-react.Self reactive substances
Skin Irrit.Skin irritation
STOT RESpecific target organ toxicity - repeated exposure
STOT SESpecific target organ toxicity - single exposure
Full text of R-phrases referred to under sections 2 and 3
FHighly flammable
TToxic
R5Heating may cause an explosion.
R11Highly flammable.
R36/37/38Irritating to eyes, respiratory system and skin.
R38Irritating to skin.
R48/23/24/25Toxic: danger of serious damage to health by prolonged exposure through inhalation,
in contact with skin and if swallowed.
XiIrritant
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.
Symbol GHS02 GHS07 GHS08
GHS02, GHS07, GHS08
Signal Word Danger
Hazard Statements H225-H315-H319-H372
Precautionary Statements P210-P305 + P351 + P338-P314
RIDADR UN 2398 3 / PGII
HS Code 2929909090
Flash Point(F) -27.4 °F
Flash Point(C) -33 °C

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22001-17-8 structure

22001-17-8

Literature: Ryu, Jaeyune; Shin, Kwangmin; Park, Sae Hume; Kim, Ji Young; Chang, Sukbok Angewandte Chemie - International Edition, 2012 , vol. 51, # 39 p. 9904 - 9908

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22001-17-8 structure

22001-17-8

Literature: Xu, Shilin; Zhuang, Xiaoxi; Pan, Xiaofen; Zhang, Zhang; Duan, Lei; Liu, Yingxue; Zhang, Lianwen; Ren, Xiaomei; Ding, Ke Journal of Medicinal Chemistry, 2013 , vol. 56, # 11 p. 4631 - 4640
HS Code 2929909090
Summary 2929909090 other compounds with other nitrogen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%