4-Hydroxypyrimidine-5-carbonitrile

Modify Date: 2026-07-04 12:59:10

4-Hydroxypyrimidine-5-carbonitrile Structure
4-Hydroxypyrimidine-5-carbonitrile structure
Common Name 4-Hydroxypyrimidine-5-carbonitrile
CAS Number 4774-34-9 Molecular Weight 121.097
Density 1.5±0.1 g/cm3 Boiling Point 334.5±27.0 °C at 760 mmHg
Molecular Formula C5H3N3O Melting Point N/A
MSDS Chinese USA Flash Point 156.1±23.7 °C
Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger

Summary: The chemical name of 5-cyano-4-hydroxypyrimidine (also known as 4-hydroxypyrimidine-5-carbonitrile) is 4-Hydroxypyrimidine-5-carbonitrile, with CAS number 4774-34-9. The molecular formula is C5H3N3O and the molecular weight is 121.097. Physical properties include boiling point 334.5±27.0 °C, density 1.5±0.1 g/cm3. For research-use only, not for medical or clinical usage.


 Names

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

Name 4-Hydroxypyrimidine-5-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

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

Density 1.5±0.1 g/cm3
Boiling Point 334.5±27.0 °C at 760 mmHg
Molecular Formula C5H3N3O
Molecular Weight 121.097
Flash Point 156.1±23.7 °C
Exact Mass 121.027611
PSA 69.80000
LogP -0.60
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.601
InChIKey SVOQOFSQLVVHKQ-UHFFFAOYSA-N
SMILES N#Cc1cnc[nH]c1=O
Storage condition 2-8°C

 MSDS

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
4-Hydroxypyrimidine-5-carbonitrile
Product Name:
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302:Harmful if swallowed
H318:Causes serious eye damage
P280:Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

Section3. Composition/information on ingredients.
Ingredient name:4-Hydroxypyrimidine-5-carbonitrile
CAS number:4774-34-9

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
This product should be handled only by, or under the close supervision of, those properly qualified
Handling:
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.
Storage:Store in closed vessels.

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
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C5H3N3O
Molecular weight: 121.1

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

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

 Safety Information

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

Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger
Hazard Statements H302-H318
Precautionary Statements P280-P305 + P351 + P338
Hazard Codes Xn
Risk Phrases 22-41
Safety Phrases 26-36
RIDADR NONH for all modes of transport
HS Code 2933599090

 Customs

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

HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

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

6-oxo-1H-pyrimidine-5-carbonitrile
1,4-Dihydro-4-oxo-5-pyrimidinecarbonitrile 1,6-Dihydro-6-oxo-5-pyrimidinecarbonitrile
4-Hydroxypyrimidine-5-carbonitrile

 4-Hydroxypyrimidine-5-carbonitrile | FAQ

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

Q: What is the InChIKey of 4-Hydroxypyrimidine-5-carbonitrile?
A: InChIKey of 4-Hydroxypyrimidine-5-carbonitrile is SVOQOFSQLVVHKQ-UHFFFAOYSA-N.
Q: What is the molecular formula of 4-Hydroxypyrimidine-5-carbonitrile?
A: Molecular formula of 4-Hydroxypyrimidine-5-carbonitrile is C5H3N3O.
Q: What is the LogP of 4-Hydroxypyrimidine-5-carbonitrile?
A: LogP of 4-Hydroxypyrimidine-5-carbonitrile is -0.60.
Q: What are the storage conditions for 4-Hydroxypyrimidine-5-carbonitrile?
A: Storage conditions for 4-Hydroxypyrimidine-5-carbonitrile: 2-8°C.
Q: What is the CAS number of 4-Hydroxypyrimidine-5-carbonitrile?
A: CAS number of 4-Hydroxypyrimidine-5-carbonitrile is 4774-34-9.
Q: What is the boiling point of 4-Hydroxypyrimidine-5-carbonitrile?
A: Boiling point of 4-Hydroxypyrimidine-5-carbonitrile is 334.5±27.0 °C at 760 mmHg.
Q: What is the polar surface area (PSA) of 4-Hydroxypyrimidine-5-carbonitrile?
A: Polar surface area (PSA) of 4-Hydroxypyrimidine-5-carbonitrile is 69.80000.
Q: What is the English name of 4-Hydroxypyrimidine-5-carbonitrile?
A: The English name of 4-Hydroxypyrimidine-5-carbonitrile is 4-Hydroxypyrimidine-5-carbonitrile.
Q: What is the safety information for 4-Hydroxypyrimidine-5-carbonitrile?
A: Safety information for 4-Hydroxypyrimidine-5-carbonitrile: 26-36.
Q: What English synonyms does 4-Hydroxypyrimidine-5-carbonitrile have?
A: English synonyms of 4-Hydroxypyrimidine-5-carbonitrile: 6-oxo-1H-pyrimidine-5-carbonitrile, 1,4-Dihydro-4-oxo-5-pyrimidinecarbonitrile 1,6-Dihydro-6-oxo-5-pyrimidinecarbonitrile, 4-Hydroxypyrimidine-5-carbonitrile.

 4-Hydroxypyrimidine-5-carbonitrilefactory

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

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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