(2H4)-2,5-Cyclohexadiene-1,4-dione

Modify Date: 2024-01-05 22:49:53

(2H4)-2,5-Cyclohexadiene-1,4-dione Structure
(2H4)-2,5-Cyclohexadiene-1,4-dione structure
Common Name (2H4)-2,5-Cyclohexadiene-1,4-dione
CAS Number 2237-14-1 Molecular Weight 112.119
Density 1.3±0.1 g/cm3 Boiling Point 174.0±15.0 °C at 760 mmHg
Molecular Formula C6D4O2 Melting Point 113-115ºC(lit.)
MSDS Chinese USA Flash Point 59.3±17.4 °C
Symbol GHS06 GHS09
GHS06, GHS09
Signal Word Danger

 Names

Name 2,3,5,6-tetradeuteriocyclohexa-2,5-diene-1,4-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 174.0±15.0 °C at 760 mmHg
Melting Point 113-115ºC(lit.)
Molecular Formula C6D4O2
Molecular Weight 112.119
Flash Point 59.3±17.4 °C
Exact Mass 112.046234
PSA 34.14000
LogP 0.26
Vapour Pressure 1.2±0.3 mmHg at 25°C
Index of Refraction 1.543

 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: p-Benzoquinone-d4
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.: 2237-14-1


SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 3), H301
Acute toxicity, Inhalation (Category 3), H331
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Specific target organ toxicity - single exposure (Category 3), H335
Acute aquatic toxicity (Category 1), H400
For the full text of the H-Statements mentioned in this Section, see Section 16.
Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordDanger
Hazard statement(s)
Toxic if swallowed.
Causes skin irritation.
Causes serious eye irritation.
Toxic if inhaled.
May cause respiratory irritation.
Very toxic to aquatic life.
Precautionary statement(s)
Avoid breathing dust.
Avoid release to the environment.
P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Call a POISON CENTER or doctor/ physician.
Supplemental Hazardnone
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Isotopically labeled
Synonyms: 1,4-Benzoquinone-d4
Formula: C6D4O2
Molecular Weight: 112,12 g/mol
CAS-No.: 2237-14-1
No components need to be disclosed according to the applicable regulations.
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
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
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
Wear respiratory protection. 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.
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.
Store under inert gas. hygroscopic
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
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
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 particle
respirator type N99 (US) or type P2 (EN 143) 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: solid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: 113 - 115 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point77,00 °C - closed cup
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressure0,1 hPa at 25,00 °C
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityno data available
o) Partition coefficient: n- log Pow: 0,200
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
no data available
Incompatible materials
Reacts violently with:, 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
Inhalation: 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
May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting,
prolonged or repeated exposure can cause:, Damage to the eyes.

SECTION 12: Ecological information
Toxicity
Toxicity to fishLC50 - Oncorhynchus mykiss (rainbow trout) - 0,04 - 0,125 mg/l - 96,0 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.
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. 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: 2587IMDG: 2587IATA: 2587
UN proper shipping name
ADR/RID: BENZOQUINONE
IMDG: BENZOQUINONE
IATA:Benzoquinone
Transport hazard class(es)
ADR/RID: 6.1IMDG: 6.1IATA: 6.1
Packaging group
ADR/RID: IIIMDG: IIIATA: II
Environmental hazards
ADR/RID: yesIMDG Marine pollutant: yesIATA: 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
Further information
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


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS06 GHS09
GHS06, GHS09
Signal Word Danger
Hazard Statements H301-H315-H319-H331-H335-H400
Precautionary Statements P261-P273-P301 + P310-P305 + P351 + P338-P311
Hazard Codes T: Toxic;
Risk Phrases R23/24/25
Safety Phrases 26-36/37/39-45
RIDADR UN 2587 6.1/PG 2

 Synthetic Route

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(2H4)-2,5-Cyclohexadiene-1,4-dione Structure

(2H4)-2,5-Cyclo...

CAS#:2237-14-1

Literature: Tsuzuki, Hirohisa; Iyama, Hironobu; Tsukinoki, Takehito; Mukumoto, Mamoru; Yonemitsu, Tadashi; et al. Journal of Chemical Research, Miniprint, 1994 , # 8 p. 1701 - 1716

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(2H4)-2,5-Cyclohexadiene-1,4-dione Structure

(2H4)-2,5-Cyclo...

CAS#:2237-14-1

Literature: Zhao; Imahori; Zhan; Sakata; Iwata; Kitagawa Journal of Physical Chemistry A, 1997 , vol. 101, # 4 p. 622 - 631

~%

(2H4)-2,5-Cyclohexadiene-1,4-dione Structure

(2H4)-2,5-Cyclo...

CAS#:2237-14-1

Literature: Gragerow; Mikluchin Zhurnal Fizicheskoi Khimii, 1950 , vol. 24, p. 582,585 Chem.Abstr., 1950 , p. 8711

~%

(2H4)-2,5-Cyclohexadiene-1,4-dione Structure

(2H4)-2,5-Cyclo...

CAS#:2237-14-1

Literature: Tsuzuki, Hirohisa; Iyama, Hironobu; Tsukinoki, Takehito; Mukumoto, Mamoru; Yonemitsu, Tadashi; et al. Journal of Chemical Research, Miniprint, 1994 , # 8 p. 1701 - 1716

 Synonyms

(H)-2,5-Cyclohexadiene-1,4-dione
2,5-Cyclohexadiene-1,4-dione-d
(H)Cyclohexa-2,5-diene-1,4-dione
p-Benzoquinone-d4
1,4-benzoquinone-d4
MFCD00142542