Basic information
- CAS
16019-31-1- Standard SMILES
C=CCc1c(Cl)ncnc1Cl- InChIKey
PDLIUMXRLQCZRG-UHFFFAOYSA-N- Molecular formula
- C7H6Cl2N2
- Average molar mass
- 189.04 g/mol
- Monoisotopic mass
- 187.99080355
Names & identifiers
- Preferred name
- 5-Allyl-4,6-dichloropyrimidine
- IUPAC
- 4,6-dichloro-5-prop-2-enylpyrimidine
- English name
- 5-ALLYL-4,6-DICHLORO-PYRIMIDINE
- Molecular formula
- C7H6Cl2N2
- Molecular weight
- 189.04
Names & synonyms
5-allyl-4,6-dichloropyrimidine16019-31-15-ALLYL-4,6-DICHLORO-PYRIMIDINE4,6-dichloro-5-(prop-2-en-1-yl)pyrimidine4,6-dichloro-5-prop-2-enylpyrimidineMFCD11053501Pyrimidine, 4,6-dichloro-5-(2-propen-1-yl)-Pyrimidine, 5-allyl-4,6-dichloro-SCHEMBL1350377DTXSID40333920SB18010CS-0008454
Show more names
4,6-Dichloro-5-allylpyrimidine4,6-dichloro-5-(2-propen-1-yl)Pyrimidine5-Allyl-4,6-dichloropyrimidine,98% (stabilized with TBC)
BCP21938AMY202100032A3542Pyrimidine, 4,6-dichloro-5-(2-propenyl)-AKOS006308938SY269705DB-064336F047761
Database identifiers
- CAS
16019-31-1- PubChem CID
- 519208
- DTXSID
DTXSID40333920- Nikkaji
- J2.731.508I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 261 ℃ · 261℃
- Density
- 1.31 · 1.31
- Flash point
- 137 ℃ · 137℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -4.08 · -4.08±0.26(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers45 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏药恒医药科技有限公司
Related reactions
7 records
Compound notes
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