Basic information
- CAS
30825-88-8- Standard SMILES
COC(=O)c1[nH]c(=O)[nH]c(=O)c1Br- InChIKey
UJCPEPQYSPRWGU-UHFFFAOYSA-N- Molecular formula
- C6H5BrN2O4
- Average molar mass
- 249.02 g/mol
- Monoisotopic mass
- 247.94327
Names & identifiers
- Preferred name
- Methyl 5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
- IUPAC
- methyl 5-bromo-2,4-dioxo-1H-pyrimidine-6-carboxylate
- English name
- methyl 5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
- Molecular formula
- C6H5BrN2O4
- Molecular weight
- 249.02
Names & synonyms
30825-88-8methyl 5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylateMethyl 5-Bromo-2,6-Dihydroxypyrimidine-4-Carboxylatemethyl 5-bromo-2,4-dioxo-1H-pyrimidine-6-carboxylateMFCD070230344-Pyrimidinecarboxylic acid, 5-bromo-1,2,3,6-tetrahydro-2,6-dioxo-, methyl esterMethyl 5-bromoorotateMethyl5-bromoorotate,97%Methyl 5-bromoorotate, 97%5-Bromoorotic acid methyl esterSCHEMBL24761226SCHEMBL31483892
Show more names
methyl 5-bromo-2,6-dihydroxypyrimidine-4-carboxylate（WS204517）Methyl 5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate - [M71596]
DTXSID70422518STK784725AKOS005620683SB58918AS-76311ST085098SY026734DB-370928
Database identifiers
- CAS
30825-88-8
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 252 · 252-254℃
- Density
- 1.875 · 1.875±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.24 · 3.24±0.10(Predicted)
- form
- Solid
- Appearance
- White to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers21 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
杭州新迈德医药科技有限公司0571-56361269 17721302038 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Shanghai Witofly Chemical Co.,Ltd[email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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