Basic information
- CAS
54198-78-6- Standard SMILES
BrCc1ccncn1- InChIKey
OKLBYPMDIRXALH-UHFFFAOYSA-N- Molecular formula
- C5H5BrN2
- Average molar mass
- 173.01 g/mol
- Monoisotopic mass
- 171.96361026
Names & identifiers
- Preferred name
- 4-(Bromomethyl)pyrimidine
- IUPAC
- 4-(bromomethyl)pyrimidine
- English name
- 4-(BroMoMethyl)pyriMidine
- Molecular formula
- C5H5BrN2
- Molecular weight
- 173.01
Names & synonyms
4-(bromomethyl)pyrimidine54198-78-6pyrimidine, 4-(bromomethyl)-DTXSID10349073RefChem:288639DTXCID70300145InChI=1/C5H5BrN2/c6-3-5-1-2-7-4-8-5/h1-2,4H,3H4-Bromomethyl-pyrimidineMFCD111131706-bromomethylpyrimidine4-pyrimidylmethyl bromideSCHEMBL650452
Show more names
SCHEMBL28602175SCHEMBL30309696OKLBYPMDIRXALH-UHFFFAOYSA-NAKOS013300886SB37591DA-05056SY285072
Database identifiers
- CAS
54198-78-6- PubChem CID
- 642819
- DTXSID
DTXSID10349073
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 67.4
Physicochemical properties
- Boiling point
- 232.6 · 232.6±15.0 °C(Predicted)
- Density
- 1.641 · 1.641±0.06 g/cm3(Predicted)
- pka
- 0.98 · 0.98±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
宁波振岳医药科技有限公司19817745290 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海睿升化工科技有限公司+86-021-50935922
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海智乾生物科技有限公司[email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Related reactions
2 records
Compound notes
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