Basic information
- CAS
878-86-4- Standard SMILES
Cn1c(=O)[nH]c(Cl)c([N+](=O)[O-])c1=O- InChIKey
PRHMVAKNXHWSJP-UHFFFAOYSA-N- Molecular formula
- C5H4ClN3O4
- Average molar mass
- 205.55 g/mol
- Monoisotopic mass
- 204.9890333
Names & identifiers
- Preferred name
- 6-Chloro-2-hydroxy-3-methyl-5-nitro-3,4-dihydropyrimidin-4-one
- IUPAC
- 6-chloro-3-methyl-5-nitro-1H-pyrimidine-2,4-dione
- English name
- 6-Chloro-3-methyl-5-nitro-1H-pyrimidine-2,4-dione
- Molecular formula
- C5H4ClN3O4
- Molecular weight
- 205.56
Names & synonyms
6-chloro-2-hydroxy-3-methyl-5-nitro-3,4-dihydropyrimidin-4-oneRefChem:541527996-845-6878-86-46-chloro-3-methyl-5-nitro-1H-pyrimidine-2,4-dione6-Chloro-3-methyl-5-nitropyrimidine-2,4(1H,3H)-dione6-Chloro-3-methyl-5-nitro-2,4(1H,3H)-pyrimidinedioneMFCD00666952MS-18746-chloro-3-methyl-5-nitro-1,2,3,4-tetrahydropyrimidine-2,4-dioneNSC61553SCHEMBL6460417
Show more names
6-CHLORO-2-HYDROXY-3-METHYL-5-NITRO-3H-PYRIMIDIN-4-ONE2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-methyl-5-nitro-
3-methyl-5-nitro-6-chlorouracilDTXSID00289479PRHMVAKNXHWSJP-UHFFFAOYSA-NNSC-61553AKOS005108050AKOS024319451Uracil, 6-chloro-3-methyl-5-nitro-SB39296
Database identifiers
- CAS
878-86-4- PubChem CID
- 247192
- DTXSID
DTXSID00289479
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 195 · 195-197 °C
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.40(Predicted)
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
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Chemistry & industry
Suppliers3 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海安米克化学品有限公司微信：18019252918 18019252918 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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