Basic information
- CAS
4319-77-1- Standard SMILES
COc1ncnc(OC)c1Br- InChIKey
XBALMYGYANOULM-UHFFFAOYSA-N- Molecular formula
- C6H7BrN2O2
- Average molar mass
- 219.04 g/mol
- Monoisotopic mass
- 217.96909
Names & identifiers
- Preferred name
- 5-Bromo-4,6-dimethoxypyrimidine
- IUPAC
- 5-bromo-4,6-dimethoxypyrimidine
- English name
- 5-Bromo-4,6-dimethoxypyrimidine
- Molecular formula
- C6H7BrN2O2
- Molecular weight
- 219.04
Names & synonyms
5-Bromo-4,6-dimethoxypyrimidine4319-77-1DTXSID20339667RefChem:301839DTXCID60290748MFCD002341935-Bromo-46-dimethoxypyrimidine5-Bromo-4,6-dimethoxy-pyrimidineSCHEMBL45364235-Bromo-4,6-dimethoxypyrimidine #SBB095691Pyrimidine, 5-bromo-4,6-dimethoxy-
Show more names
5-Bromo-4,6-dimethoxypyrimidine ,97%5-Bromo-4,6-dimethoxypyrimidine ,97% ISO 9001：2015 REACH
AKOS015834380AB05186CS-W022323DS-5317SY075630DB-070414AC-907/25004542F322238
Database identifiers
- CAS
4319-77-1- PubChem CID
- 557718
- DTXSID
DTXSID20339667
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Melting point
- 149 · 149-151℃
- Boiling point
- 288 ℃ · 288℃
- Density
- 1.563 · 1.563
- Flash point
- 128 ℃ · 128℃
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -0.03 · -0.03±0.26(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C6H7BrN2O2/c1-10-5-4(7)6(11-2)9-3-8-5/h3H,1-2H3
- InChIKey
- XBALMYGYANOULM-UHFFFAOYSA-N
- SMILES
- C1=NC(OC)=C(Br)C(OC)=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 34 · 34
- Safety Statements
- 16 · 16-26-36/37/39-45
Safety & regulation
Safety data
- ridadr
- 1759
- hs_code
- 29339900
- risk_code
- 34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 16-26-36/37/39-45
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers45 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [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]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+86-13382787392 · [email protected]
天津佶品佳化工科技有限公司18622448868 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
苏州宏雄生物科技有限公司18051745768
天津奥立非医药技术有限公司18202662021 18522876413 · [email protected]
溧阳市昆仑生物科技有限公司0519-87310015 13813530041 · [email protected]
Related reactions
5 records
Compound notes
Loading…