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5157-15-3

5157-15-3 structure
5157-15-3 structure
  • Name: 3a,6a-Diphenylglycouril
  • Chemical Name: Diphenylglycoluril
  • CAS Number: 5157-15-3
  • Molecular Formula: C16H14N4O2
  • Molecular Weight: 294.30800
  • Create Date: 2018-08-28 17:26:08
  • Modify Date: 2024-01-05 19:10:03

Name Diphenylglycoluril
Synonyms 3a,6a-Diphenyloctahydroimidazo[4,5-d]imidazole-2,5-dione
3A,6A-DIPHENYLGLYCOLURIL
Density 1.35 g/cm3
Boiling Point 677.1ºC at 760mmHg
Melting Point >300ºC
Molecular Formula C16H14N4O2
Molecular Weight 294.30800
Flash Point 277.6ºC
Exact Mass 294.11200
PSA 82.26000
LogP 2.63320
Index of Refraction 1.643

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: Glycoluril, 3a,6a-diphenyl-
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.: 5157-15-3
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
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
Substances
Formula: C16H14N4O2
Molecular weight: 294,31 g/mol
CAS-No.: 5157-15-3
No components need to be disclosed according to the applicable regulations.

SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
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.
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)
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
No special environmental precautions required.
Methods and materials for containment and cleaning up
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
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.
Storage class (TRGS 510): Non Combustible Solids
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
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
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
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
No special environmental precautions required.

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/freezingNo data available
point
f) Initial boiling point and No data available
boiling range
g) Flash pointNo data available
h) Evaporation 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
No data available
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: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
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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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: -IMDG: -IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA:Not dangerous goods
Transport hazard class(es)
ADR/RID: -IMDG: -IATA: -
Packaging group
ADR/RID: -IMDG: -IATA: -
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
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.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MD1100000
CHEMICAL NAME :
Glycoluril, 3a,6a-diphenyl-
CAS REGISTRY NUMBER :
5157-15-3
BEILSTEIN REFERENCE NO. :
0296281
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C16-H14-N4-O2
MOLECULAR WEIGHT :
294.34
WISWESSER LINE NOTATION :
T55 BMVM FMVMTJ AR& ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 93,287,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02415
HS Code 2933990090

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Literature: Sachdev, Divya; Dubey, Amit Catalysis Communications, 2010 , vol. 11, # 13 p. 1063 - 1067

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Literature: Sijbesma, Rint P.; Kentgens, Arno P. M.; Nolte, Roeland J. M. Journal of Organic Chemistry, 1991 , vol. 56, # 10 p. 3199 - 3201

~86%

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Literature: Bakibaev, A.A.; Yagovkin, A.Yu.; Filimonov, V.D. Journal of Organic Chemistry USSR (English Translation), 1991 , vol. 27, # 7 p. 1326 - 1331 Zhurnal Organicheskoi Khimii, 1991 , vol. 27, # 7 p. 1512 - 1519

~84%

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Literature: Bakibaev, A. A.; Akhmedzhanov, R. R.; Yagovkin, A. Yu.; Novozheeva, T. P.; Filimonov, V. D.; Saratikov, A. S. Pharmaceutical Chemistry Journal, 1993 , vol. 27, # 6 p. 401 - 406 Khimiko-Farmatsevticheskii Zhurnal, 1993 , vol. 27, # 6 p. 29 - 33

~64%

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Literature: Bakibaev, A.A.; Yagovkin, A.Yu.; Filimonov, V.D. Journal of Organic Chemistry USSR (English Translation), 1991 , vol. 27, # 7 p. 1326 - 1331 Zhurnal Organicheskoi Khimii, 1991 , vol. 27, # 7 p. 1512 - 1519

~10%

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Literature: Lee, Chang Kiu; Kim, Sun Hee; Kim, Yong Bun Journal of Heterocyclic Chemistry, 1996 , vol. 33, # 4 p. 1019 - 1024

~%

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Literature: Biltz Justus Liebigs Annalen der Chemie, 1909 , vol. 368, p. 270 Chemische Berichte, 1908 , vol. 41, p. 1387

~%

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Literature: Biltz Chemische Berichte, 1908 , vol. 41, p. 172,1379

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Detail
Literature: Lee, Chang Kiu; Kim, Sun Hee; Kim, Yong Bun Journal of Heterocyclic Chemistry, 1996 , vol. 33, # 4 p. 1019 - 1024
HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%