Basic information
- CAS
39753-81-6- Standard SMILES
CCOC(=O)Cn1cc([N+](=O)[O-])cn1- InChIKey
XDEFHGLUBFLYGV-UHFFFAOYSA-N- Molecular formula
- C7H9N3O4
- Average molar mass
- 199.16 g/mol
- Monoisotopic mass
- 199.05930578
Names & identifiers
- Preferred name
- ethyl (4-nitro-1H-pyrazol-1-yl)acetate
- IUPAC
- ethyl 2-(4-nitropyrazol-1-yl)acetate
- English name
- (4-NITRO-PYRAZOL-1-YL)-ACETIC ACID ETHYL ESTER
- Molecular formula
- C7H9N3O4
- Molecular weight
- 199.16
Names & synonyms
39753-81-6ethyl (4-nitro-1H-pyrazol-1-yl)acetateDTXSID50349911ethyl {4-nitro-1H-pyrazol-1-yl}acetateRefChem:341780DTXCID50300981ethyl 2-(4-nitro-1h-pyrazol-1-yl)acetateethyl 2-(4-nitropyrazol-1-yl)acetateMFCD00297171(4-Nitro-pyrazol-1-yl)-acetic acid ethyl ester1H-Pyrazole-1-acetic acid, 4-nitro-, ethyl esterethyl 2-(4-nitropyrazolyl)acetate
Show more names
ethyl (4-nitropyrazol-1-yl)acetateethyl 2-(4-nitropyrazol-1-yl)ethanoate2-(4-nitropyrazol-1-yl)acetic acid ethyl ester2-(4-nitro-1-pyrazolyl)acetic acid ethyl ester
Ethyl 4-nitropyrazole-1-acetateAKOS PAO-0927SCHEMBL15895123AKOS B016147ART-CHEM-BB B016147ALBB-008664SBB000380STK349299
Database identifiers
- CAS
39753-81-6- PubChem CID
- 668285
- DTXSID
DTXSID50349911
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H314-H290
- Precautionary statements
- P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers20 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
青岛凯亚隆医药科技有限公司053288191853 13061484198 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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