4-Methylpyrimidine

HCID 18922
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Basic information

CAS
3438-46-8
Standard SMILES
Cc1ccncn1
InChIKey
LVILGAOSPDLNRM-UHFFFAOYSA-N
Molecular formula
C5H6N2
Average molar mass
94.11 g/mol
Monoisotopic mass
94.0530982

Names & identifiers

Preferred name
4-Methylpyrimidine
IUPAC
4-methylpyrimidine
English name
4-Methylpyrimidine
Molecular formula
C5H6N2
Molecular weight
94.11

Names & synonyms

4-METHYLPYRIMIDINE3438-46-8Pyrimidine, 4-methyl-4-methyl-pyrimidineMFCD000061153D1R4OMX4NEINECS 222-344-24-Methylpyrimidine, 97%UNII-3D1R4OMX4NSCHEMBL12441SCHEMBL127453SCHEMBL205815
Show more names
4-MP4-Methlpyrimidine6-METHYLPYRIMIDINE4-methyl-pyrimidin4-Methyl-1,3-diazinePyrimidine,4-methyl-4-Methylpyrimidine>4-Methylpyrimidine,98%4-METHYLPYRIMIDINE 97+%
SCHEMBL352893SCHEMBL413067orb3023390SCHEMBL2906033SCHEMBL9903148DTXSID5063027SCHEMBL11016162SCHEMBL29597429

Database identifiers

CAS
3438-46-8
PubChem CID
18922
DTXSID
DTXSID5063027
UNII
3D1R4OMX4N
EC Number
222-344-2
Nikkaji
J102.050A

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

Vapor Pressure4.63 [mmHg]
Physical DescriptionColorless liquid with an amine-like odor; [Evonik MSDS]
Kovats Retention Index · 3 items

819；827；827

853

1328

Physicochemical properties

Melting point
32 °C · 32°C
Boiling point
141 · 141-142 °C (lit.)
Density
1.031 g/mL · 1.031 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.496(lit.)
Flash point
105 °F · 105 °F
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information4-Methylpyrimidine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySee Pyrimidine.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Regulatory information

Regulatory Information4-Methylpyrimidine: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
29335995
risk_code
10-61

Chemistry & industry

Uses & manufacturing

UsesUsed as an intermediate for organic syntheses; [Evonik MSDS]
General Manufacturing InformationPyrimidine, 4-methyl-: INACTIVE
Applications · 2 items

Uses4-Methylpyrimidine was used in the synthesis of crystalline trans-[RuCl(3)(NO)L(2)] complexes. 4-Methylpyrimidine was also used to bridge dinuclear oxovanadium(IV) complexes.

General Description4-Methylpyrimidine is a fundamental nitrogen-containing aromatic heterocyclic scaffold unit, with only one methyl group (-CH₃) in its molecular structure. It can be used as a pharmaceutical intermediate in the preparation of potentially active anti-infective or anti-tumour compounds. Furthermore, it can also be utilised in the preparation of various heterocyclic compounds, such as pesticides and OLED materials.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Related reactions

42 records
New reaction record

Compound notes

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