Basic information
- CAS
14248-02-3- Standard SMILES
Cn1cncc(Br)c1=O- InChIKey
XESUZSMJHLRVDK-UHFFFAOYSA-N- Molecular formula
- C5H5BrN2O
- Average molar mass
- 189.01 g/mol
- Monoisotopic mass
- 187.95853
Names & identifiers
- Preferred name
- 5-Bromo-3-methyl-4(3H)-pyrimidinone
- IUPAC
- 5-bromo-3-methylpyrimidin-4-one
- English name
- 5-Bromo-3-methyl-3H-pyrimidin-4-one
- Molecular formula
- C5H5BrN2O
- Molecular weight
- 189.01
Names & synonyms
14248-02-35-bromo-3-methyl-3,4-dihydropyrimidin-4-one5-Bromo-3-methyl-4(3H)-pyrimidinoneDTXSID901295344RefChem:533572DTXCID401725873817-873-65-bromo-3-methylpyrimidin-4(3H)-one5-bromo-3-methylpyrimidin-4-one5-Bromo-3-methyl-3H-pyrimidin-4-oneMFCD008349615-bromo-3-methyl-4-pyrimidone
Show more names
4(3H)-Pyrimidinone, 5-bromo-3-methyl-5-bromo-3-methyl-3,4-dihydropyrimidin-4-one - [B82842]
AKOS015654883SB55996BS-43110CS-0214918P19038SCHEMBL2399343XESUZSMJHLRVDK-UHFFFAOYSA-N5-bromo-3-methyl-pyrimidin-4-one
Database identifiers
- CAS
14248-02-3- PubChem CID
- 824635
- DTXSID
DTXSID901295344- EC Number
- 817-873-6
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 215.9 · 215.9±50.0 °C(Predicted)
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- pka
- 0.54 · 0.54±0.68(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers15 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
Related reactions
2 records
Compound notes
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