Basic information
- CAS
6327-97-5- Standard SMILES
Cn1cc(Br)c(=O)[nH]c1=O- InChIKey
PIVKLKRNXWUHSD-UHFFFAOYSA-N- Molecular formula
- C5H5BrN2O2
- Average molar mass
- 205.01 g/mol
- Monoisotopic mass
- 203.9534395
Names & identifiers
- Preferred name
- 1-Methyl-5-bromouracil
- IUPAC
- 5-bromo-1-methylpyrimidine-2,4-dione
- English name
- 1-methyl-5-bromouracil
- Molecular formula
- C5H5BrN2O2
- Molecular weight
- 205.01
Names & synonyms
6327-97-51-Methyl-5-bromouracil5-Bromo-1-methyluracilUracil, 5-bromo-1-methyl-7ZW9I8H12L2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-methyl-NSC-44431DTXSID50212671RefChem:76341DTXCID801351625-bromo-1-methylpyrimidine-2,4(1h,3h)-dione5-bromo-1-methylpyrimidine-2,4-dione
Show more names
imidinedione,5-bromo-1-methyl-2,4(1H,3H)-Pyrimidinedione,5-bromo-1-methyl-
MFCD00038053NSC444315-bromo-1-methyl-2,4(1H,3H)-pyrimidinedione5-bromo-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione5-bromo-1-methyl-pyrimidine-2,4-dione5-bromo-4-hydroxy-1-methyl-2(1H)-pyrimidinoneNSC 44431UNII-7ZW9I8H12L
Database identifiers
- CAS
6327-97-5- PubChem CID
- 73276
- DTXSID
DTXSID50212671- UNII
- 7ZW9I8H12L
- EC Number
- 849-347-7
- Nikkaji
- J493.478D
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 266 °C · 266 °C (decomp)
- Density
- 2 g/cm3 · 2.00 g/cm3
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 8.11 · 8.11±0.10(Predicted)
- Appearance
- White to off-white Solid
- FDA UNII
- 7 ZW9I8H12L · 7ZW9I8H12L
- 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]
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers17 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海金娜化工有限公司18621882857 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
宁波泽宇化工科技有限公司15066123231
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
2 records
Compound notes
Loading…