Basic information
- CAS
898044-50-3- Standard SMILES
Cc1ncc(F)c(Cl)n1- InChIKey
QSFGQHQXDKLATK-UHFFFAOYSA-N- Molecular formula
- C5H4ClFN2
- Average molar mass
- 146.55 g/mol
- Monoisotopic mass
- 146.004704
Names & identifiers
- Preferred name
- 4-Chloro-5-fluoro-2-methylpyrimidine
- IUPAC
- 4-chloro-5-fluoro-2-methylpyrimidine
- English name
- 4-Chloro-5-fluoro-2-methyl-pyrimidine
- Molecular formula
- C5H4ClFN2
- Molecular weight
- 146.55
Names & synonyms
4-Chloro-5-fluoro-2-methylpyrimidine898044-50-3DTXSID40341585RefChem:521445DTXCID60292666816-102-04-chloro-5-fluoro-2-methyl-pyrimidineMFCD098349645-Fluoro-4-chloro-2-methylpyrimidinefluoro-chloro-methyl pyrimidineSCHEMBL1367110AKOS006239062
Show more names
Pyrimidine, 4-chloro-5-fluoro-2-methyl-4-CHLORO-5-FLUORO-2-METHYL-PYRIMIDINE ISO 9001：2015 REACH
AB52955AMY097SCHEMBL5039169CS-W0040394-Chloro-5-fluoro-2-methylpyrimidine #DS-12788SY039721DB-010676
Database identifiers
- CAS
898044-50-3- PubChem CID
- 574155
- DTXSID
DTXSID40341585- EC Number
- 816-102-0
- Nikkaji
- J526.263A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 176.9 · 176.9±20.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- -0.65 · -0.65±0.29(Predicted)
- Appearance
- Colorless to light yellow Solid-Liquid Mixture
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P362+P364
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P305+P351+P338-P362+P364
Chemistry & industry
Applications
Uses4-Chloro-5-fluoro-2-methylpyrimidine
Upstream & downstream products
Upstream raw materials
Suppliers59 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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