4-Chloro-2-methylsulfanyl-pyrimidine-5-carbonitrile

Modify Date: 2024-01-03 17:18:16

4-Chloro-2-methylsulfanyl-pyrimidine-5-carbonitrile structure	Common Name	4-Chloro-2-methylsulfanyl-pyrimidine-5-carbonitrile
	CAS Number	137234-74-3	Molecular Weight	160.577
	Density	1.3±0.1 g/cm3	Boiling Point	210.9±35.0 °C at 760 mmHg
	Molecular Formula	C₆H₆ClFN₂	Melting Point	N/A
	MSDS	USA	Flash Point	81.4±25.9 °C

Name	4-Chloro-6-ethyl-5-fluoropyrimidine
Synonym	More Synonyms

Density	1.3±0.1 g/cm3
Boiling Point	210.9±35.0 °C at 760 mmHg
Molecular Formula	C₆H₆ClFN₂
Molecular Weight	160.577
Flash Point	81.4±25.9 °C
Exact Mass	160.020355
PSA	25.78000
LogP	1.87
Vapour Pressure	0.3±0.4 mmHg at 25°C
Index of Refraction	1.502
Storage condition	Room temperature.

Material Safety Data Sheet

Section1. Identiﬁcation of the substance
Product Name: 4-Chloro-6-ethyl-5-ﬂuoropyrimidine
Synonyms:

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

H314:Causes severe skin burns and eye damage
H318:Causes serious eye damage
H302:Harmful if swallowed
Combustible liquid
H227:
P210:Keep away from heat/sparks/open ﬂames/hot surfaces. No smoking
P260:Do not breathe dust/fume/gas/mist/vapours/spray
P303+P361+P353: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P405:Store locked up

Section3. Composition/information on ingredients.
Ingredient name:4-Chloro-6-ethyl-5-ﬂuoropyrimidine
CAS number:137234-74-3

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.
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
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C6H6ClFN2
Molecular weight: 160.6

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 chloride, hydrogen ﬂuoride.

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
UN Number:UN3267 Class: 8 Packing group: III
Proper shipping name: CORROSIVE LIQUID, BASIC, ORGANIC, N.O.S. (4-Chloro-6-ethyl-5-ﬂuoropyrimidine)

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	Xi
Risk Phrases	R20/21/22
Safety Phrases	22-36/37/39-45
HS Code	2933599090

6-Ethyl-5-fluor...

CAS#:137234-87-8

~92%

4-Chloro-2-meth...

CAS#:137234-74-3

Literature: WO2009/20323 A2, ; Page/Page column 7; 9 ;

2,4-dichloro-6-...

CAS#:137234-85-6

4-Chloro-2-meth...

CAS#:137234-74-3

Literature: Organic Process Research and Development, , vol. 5, # 1 p. 28 - 36

Ethyl 2-fluoro-...

CAS#:759-67-1

4-Chloro-2-meth...

CAS#:137234-74-3

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 6, # 16 p. 2031 - 2036

Precursor 3
CAS#:137234-87-8 6-Ethyl-5-fluor... CAS#:137234-85-6 2,4-dichloro-6-... CAS#:759-67-1 Ethyl 2-fluoro-...
DownStream 4
CAS#:1112937-23-1 4-(4-chlorophen... CAS#:188416-28-6 6-(1-Bromoethyl... CAS#:188416-35-5 rac-6-Chloro Vo... CAS#:137234-62-9 Voriconazole

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%