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1167418-13-4

1167418-13-4 structure
1167418-13-4 structure

Name 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
Synonyms Quinoxaline-6-boronic acid pinacol ester
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
Quinoxaline, 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
6-quinoxaline boronic acid,pinacol ester
6-pinacolatoboranylquinoxaline
Density 1.1±0.1 g/cm3
Boiling Point 387.8±22.0 °C at 760 mmHg
Molecular Formula C14H17BN2O2
Molecular Weight 256.108
Flash Point 188.3±22.3 °C
Exact Mass 256.138306
PSA 44.24000
LogP 1.92900
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.560

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product name: Quinoxaline-6-boronic acid pinacol ester

Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
According to Regulation (EC) No1272/2008
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
According to European Directive 67/548/EEC as amended.
Irritating to eyes, respiratory system and skin.
Label elements
Pictogram
Signal wordWarning
Hazard statement(s)
H315Causes skin irritation.
H319Causes serious eye irritation.
H335May cause respiratory irritation.
Precautionary statement(s)
P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Hazard symbol(s)
XiIrritant
R-phrase(s)
R36/37/38Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Formula: C14H17BN2O2
Molecular Weight: 256,11 g/mol
CAS-No.EC-No.Index-No.ClassificationConcentration
Quinoxaline-6-boronic acid pinacol ester
1167418-13-4 --Skin Irrit. 2; Eye Irrit. 2; STOT -
SE 3; H315, H319, H335
Xi, R36/37/38
For the full text of the H-Statements mentioned in this Section, see Section 16.

Section4. 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
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

Section5. FIRE-FIGHTING MEASURES
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special protective equipment for fire-fighters
Wear self contained breathing apparatus for fire fighting if necessary.

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
Environmental precautions
Do not let product enter drains.
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.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Normal measures for preventive fire protection.
Conditions for safe storage
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. Store in cool place.

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Personal protective equipment
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).
Hand 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.
Eye protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested and
approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin and body protection
impervious clothing, The type of protective equipment must be selected according to the concentration
and amount of the dangerous substance at the specific workplace.
Hygiene measures
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at
the end of workday.

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Appearance
Formliquid
Safety data
pH no data available
Melting pointno data available
Boiling pointno data available
Flash point> 110 °C
Ignition temperature no data available
Lower explosion limit no data available
Upper explosion limit no data available
Density1,123 g/cm3
Water solubilityno data available
Partition coefficient: log Pow: 3,007
n-octanol/water

Section10. STABILITY AND REACTIVITY
Chemical stability
Stable under recommended storage conditions.
Conditions to avoid
no data available
Materials to avoid
Strong oxidizing agents
Hazardous decomposition products
Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx),
Borane/boron oxides

Section11. TOXICOLOGICAL INFORMATION
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
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
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationMay be harmful if inhaled. Causes respiratory tract irritation.
IngestionMay be harmful if swallowed.
SkinMay be harmful if absorbed through skin. Causes skin irritation.
EyesCauses serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: Not available

Section12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
PBT and vPvB assessment
no data available
Other adverse effects
no data available

Section13. DISPOSAL CONSIDERATIONS
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional
waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
ADR/RID
Not dangerous goods
IMDG
Not dangerous goods
IATA
Not dangerous goods

Section15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.

Section16. OTHER INFORMATION
Text of H-code(s) and R-phrase(s) mentioned in Section 3
Eye Irrit.Eye irritation
H315Causes skin irritation.
H319Causes serious eye irritation.
H335May cause respiratory irritation.
Skin Irrit.Skin irritation
STOT SESpecific target organ toxicity - single exposure
XiIrritant
R36/37/38Irritating to eyes, respiratory system and skin.
Further information
Copyright 2010 Co. 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. Co., shall not be held liable for any damage resulting from
handling or from contact with the above product. See reverse side of invoice or packing slip for additional
terms and conditions of sale.

~99%

1167418-13-4 structure

1167418-13-4

Literature: PRESIDENT AND FELLOWS OF HARVARD COLLEGE; RITTER, Tobias; FURUYA, Takeru; TANG, Pingping Patent: WO2010/59943 A2, 2010 ; Location in patent: Page/Page column 86 ;
Precursor  2

DownStream  0