5-Pyrimidinecarbaldehyde

Modify Date: 2024-01-02 10:40:28

5-Pyrimidinecarbaldehyde structure	Common Name	5-Pyrimidinecarbaldehyde
	CAS Number	10070-92-5	Molecular Weight	108.098
	Density	1.2±0.1 g/cm3	Boiling Point	225.3±13.0 °C at 760 mmHg
	Molecular Formula	C₅H₄N₂O	Melting Point	39-43ºC
	MSDS	Chinese USA	Flash Point	92.6±26.3 °C

Name	Pyrimidine-5-carboxaldehyde
Synonym	More Synonyms

Density	1.2±0.1 g/cm3
Boiling Point	225.3±13.0 °C at 760 mmHg
Melting Point	39-43ºC
Molecular Formula	C₅H₄N₂O
Molecular Weight	108.098
Flash Point	92.6±26.3 °C
Exact Mass	108.032364
PSA	42.85000
LogP	-0.37
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.581

Material Safety Data Sheet

Section1. Identiﬁcation of the substance
Pyrimidine-5-carboxaldehyde
Product Name:
Synonyms:

Section2. Hazards identiﬁcation

Harmful by inhalation, in contact with skin, and if swallowed.
H302:Harmful if swallowed
H315:Causes skin irritation
H317:May cause an allergic skin reaction
H319:Causes serious eye irritation
May cause respiratory irritation
H335:
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
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.
Pyrimidine-5-carboxaldehyde
Ingredient name:
CAS number:10070-92-5

Section4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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.
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
Not speciﬁed
Appearance:
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C5H4N2O
Molecular weight:108.1

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

Hazard Codes	Xn: Harmful;Xi: Irritant;
Risk Phrases	36/37/38
Safety Phrases	26-36/37/39
HS Code	2933599090

5-Bromopyrimidine

CAS#:4595-59-9

Ethyl formate

CAS#:109-94-4

~53%

5-Pyrimidinecar...

CAS#:10070-92-5

Literature: Journal of medicinal chemistry, , vol. 47, # 20 p. 4829 - 4837

5-Bromopyrimidine

CAS#:4595-59-9

N,N-Dimethylfor...

CAS#:68-12-2

~29%

5-Pyrimidinecar...

CAS#:10070-92-5

Literature: WO2007/101213 A2, ; Page/Page column 48 ; WO 2007/101213 A2

Ethyl formate

CAS#:109-94-4

5-Pyrimidinecar...

CAS#:10070-92-5

Literature: US2006/166906 A1, ; Page/Page column 28 ;

5-Bromopyrimidine

CAS#:4595-59-9

Ethyl chloroformate

CAS#:541-41-3

5-Pyrimidinecar...

CAS#:10070-92-5

Literature: WO2013/130943 A1, ; Paragraph 0225 ;

3-Bromopyridine

CAS#:626-55-1

5-Bromopyrimidine

CAS#:4595-59-9

sodium carbonate

CAS#:497-19-8

Ethyl formate

CAS#:109-94-4

~35%

Detail

Literature: EP2266562 A1, ;

Precursor 6
CAS#:4595-59-9 5-Bromopyrimidine CAS#:109-94-4 Ethyl formate CAS#:68-12-2 N,N-Dimethylfor... CAS#:541-41-3 Ethyl chloroformate
CAS#:626-55-1 3-Bromopyridine CAS#:497-19-8 sodium carbonate
DownStream 10
CAS#:496-13-9 2,3-Dihydro-1H-... CAS#:147740-04-3 ETHYL 1H-PYRROL... CAS#:79691-74-0 α-Methyl-5-pyri... CAS#:10325-70-9 1-(5-Pyrimidiny...
CAS#:101346-02-5 5-(Chloromethyl... CAS#:25193-95-7 5-Pyrimidinylme... CAS#:287472-26-8 3-chloro-4-pyri... CAS#:647860-02-4 3-methylsulfany...
CAS#:647860-03-5 3-ethylsulfanyl... CAS#:647860-04-6 3-prop-2-enylsu...

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%