5-Bromo-6-azauracil

Modify Date: 2026-07-02 20:44:57

5-Bromo-6-azauracil structure	Common Name	5-Bromo-6-azauracil
	CAS Number	4956-05-2	Molecular Weight	191.971
	Density	2.3±0.1 g/cm3	Boiling Point	451.8±48.0 °C at 760 mmHg
	Molecular Formula	C₃H₂BrN₃O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	227.0±29.6 °C

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	6-bromo-2H-1,2,4-triazine-3,5-dione
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	2.3±0.1 g/cm3
Boiling Point	451.8±48.0 °C at 760 mmHg
Molecular Formula	C₃H₂BrN₃O₂
Molecular Weight	191.971
Flash Point	227.0±29.6 °C
Exact Mass	190.933029
PSA	78.61000
LogP	-0.93
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.707
InChIKey	VNTFEWXYAOATFA-UHFFFAOYSA-N
SMILES	O=c1[nH]nc(Br)c(=O)[nH]1

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Material Safety Data Sheet

Section1. Identiﬁcation of the substance
Product Name: 5-Bromo-6-azauracil
Synonyms:

Section2. Hazards identiﬁcation
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:5-Bromo-6-azauracil
CAS number:4956-05-2

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
ﬂushing of the eyes by separating the eyelids with ﬁngers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire ﬁghting measures
In the event of a ﬁre involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualiﬁed
in the handling and use of potentially hazardous chemicals, who should take into account the ﬁre,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not speciﬁed
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C3H2BrN3O2
Molecular weight:192

Section10. Stability and reactivity
Conditions to avoid: Heat, ﬂames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XY7750000

CHEMICAL NAME :: as-Triazine-3,5(2H,4H)-dione, 6-bromo-

CAS REGISTRY NUMBER :: 4956-05-2

LAST UPDATED :: 199410

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C3-H2-Br-N3-O2

MOLECULAR WEIGHT :: 191.99

WISWESSER LINE NOTATION :: T6NMVMVJ FE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1771 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 15,408,1966

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2568 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 15,408,1966

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes	Xi
HS Code	2933699090

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

6-Azauracil

CAS#:461-89-2

~91%

5-Bromo-6-azauracil

CAS#:4956-05-2

Learn More

Literature: PIERRE FABRE MEDICAMENT Patent: WO2005/80354 A1, 2005 ; Location in patent: Page/Page column 19 ; WO 2005/080354 A1

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 1
CAS#:461-89-2 6-Azauracil
DownStream 7
CAS#:18802-38-5 6-Amino-1,2,4-t... CAS#:873-41-6 3,5,6-Trichloro... CAS#:15870-78-7 1,2,4-Triazine-... CAS#:873-44-9 6-chloro-2H-1,2...
CAS#:6614-55-7 (6-bromo-3-trim... CAS#:88796-54-7 3,5-dioxo-2H-1,... CAS#:4956-10-9 5-(2-Amino-1,3,...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2933699090
Summary	2933699090 other compounds containing an unfused triazine ring (whether or not hydrogenated) in the structure。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN

Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN

Total 3, Current Page 1 of 1

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione

MFCD00154757

6-BROMO-1,2,4-TRIAZINE-3,5-(2H,4H)-DIONE

6-bromo-2H,4H-1,2,4-triazine-3,5-dione

5-Bromo-6-azauracil

6-bromo-1,2,4-triazine-3,5-dione

6-Bromo-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the upstream materials of 6-bromo-2H-1,2,4-triazine-3,5-dione?

A: Related upstream materials(CAS) of 6-bromo-2H-1,2,4-triazine-3,5-dione: 461-89-2.

Q: What is the polar surface area (PSA) of 6-bromo-2H-1,2,4-triazine-3,5-dione?

A: Polar surface area (PSA) of 6-bromo-2H-1,2,4-triazine-3,5-dione is 78.61000.

Q: What is the LogP of 6-bromo-2H-1,2,4-triazine-3,5-dione?

A: LogP of 6-bromo-2H-1,2,4-triazine-3,5-dione is -0.93.

Q: What is the molecular weight of 6-bromo-2H-1,2,4-triazine-3,5-dione?

A: Molecular weight of 6-bromo-2H-1,2,4-triazine-3,5-dione is 191.971.

Q: What English synonyms does 6-bromo-2H-1,2,4-triazine-3,5-dione have?

A: English synonyms of 6-bromo-2H-1,2,4-triazine-3,5-dione: 6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione, MFCD00154757, 6-BROMO-1,2,4-TRIAZINE-3,5-(2H,4H)-DIONE, 6-bromo-2H,4H-1,2,4-triazine-3,5-dione, 5-Bromo-6-azauracil, 6-bromo-1,2,4-triazine-3,5-dione, 6-Bromo-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione.

Q: What is the SMILES notation of 6-bromo-2H-1,2,4-triazine-3,5-dione?

A: SMILES notation of 6-bromo-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(Br)c(=O)[nH]1.

Q: What is the molecular formula of 6-bromo-2H-1,2,4-triazine-3,5-dione?

A: Molecular formula of 6-bromo-2H-1,2,4-triazine-3,5-dione is C3H2BrN3O2.

Q: What is the boiling point of 6-bromo-2H-1,2,4-triazine-3,5-dione?

A: Boiling point of 6-bromo-2H-1,2,4-triazine-3,5-dione is 451.8±48.0 °C at 760 mmHg.

Q: What is the CAS number of 6-bromo-2H-1,2,4-triazine-3,5-dione?

A: CAS number of 6-bromo-2H-1,2,4-triazine-3,5-dione is 4956-05-2.

Q: What is the InChIKey of 6-bromo-2H-1,2,4-triazine-3,5-dione?

A: InChIKey of 6-bromo-2H-1,2,4-triazine-3,5-dione is VNTFEWXYAOATFA-UHFFFAOYSA-N.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Dayang Chem (Hangzhou) Co., Ltd.

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Product Name: Palmitic acid
Price: Check
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 5-Bromo-6-azauracil
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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MSDS

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CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

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Precursor & DownStream

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.