Basic information
- CAS
14001-69-5- Standard SMILES
COc1ncc([N+](=O)[O-])cn1- InChIKey
ZPUHFIFABZPKHA-UHFFFAOYSA-N- Molecular formula
- C5H5N3O3
- Average molar mass
- 155.11 g/mol
- Monoisotopic mass
- 155.03309102
Names & identifiers
- Preferred name
- 2-Methoxy-5-nitropyrimidine
- IUPAC
- 2-methoxy-5-nitropyrimidine
- English name
- 2-methoxy-5-nitropyrimidine
- Molecular formula
- C5H5N3O3
- Molecular weight
- 155.11
Names & synonyms
2-Methoxy-5-nitropyrimidinePyrimidine, 2-methoxy-5-nitro-DTXSID00326474RefChem:87862DTXCID90277587878-754-2ZPUHFIFABZPKHA-UHFFFAOYSA-N14001-69-52-methoxy-5-nitro-pyrimidineMFCD00474639NSC5287255-nitro-2-methoxypyrimidine
Show more names
2-methoxy-5-nitropyrimidine ISO 9001：2015 REACH
SCHEMBL934160AKOS015852142NSC-528725SB57827DS-13891SY011610CS-0150218M3080
Database identifiers
- CAS
14001-69-5- PubChem CID
- 352900
- DTXSID
DTXSID00326474- EC Number
- 878-754-2
- Nikkaji
- J46.653K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 168 · 168-169 °C
- Boiling point
- 305.3 · 305.3±34.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -1.99 · -1.99±0.22(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers48 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
3 records
Compound notes
Loading…