Basic information
- CAS
81864-14-4- Standard SMILES
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2- InChIKey
JVGRDSBPPKBVBI-UHFFFAOYSA-N- Molecular formula
- C9H8N2O5
- Average molar mass
- 224.17 g/mol
- Monoisotopic mass
- 224.04332136
Names & identifiers
- Preferred name
- N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide
- IUPAC
- N-(6-nitro-1,3-benzodioxol-5-yl)acetamide
- English name
- N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide
- Molecular formula
- C9H8N2O5
- Molecular weight
- 224
Names & synonyms
81864-14-4N-(6-Nitro-1,3-benzodioxol-5-yl)acetamideDTXSID60337223RefChem:362478DTXCID50288311N-(6-Nitrobenzo[d][1,3]dioxol-5-yl)acetamideN-(6-nitro-2H-1,3-benzodioxol-5-yl)acetamideMFCD00188397Oprea1_307746SCHEMBL2245461SBB096621AKOS002256489
Show more names
Acetamide, N-(6-nitro-1,3-benzodioxol-5-yl)-
5-acetamino-6-nitro-1,3-benzodioxoleEE-0752CS-0362356ST501925975-Nitro-4-acetamido-1,2-methylenedioxybenzeneG86782N-(6-Nitro-1,3-benzodioxol-5-yl)acetamide #N-(6-NITRO-BENZO(1,3)DIOXOL-5-YL)-ACETAMIDE
Database identifiers
- CAS
81864-14-4- PubChem CID
- 540215
- DTXSID
DTXSID60337223
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 209 °C · 209 °C
- Boiling point
- 440.6 · 440.6±45.0 °C(Predicted)
- Density
- 1.54 · 1.540±0.06 g/cm3(Predicted)
- pka
- 12.78 · 12.78±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers8 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
上海源叶生物科技有限公司13636370518 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
12 records
Compound notes
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