Basic information
- CAS
17106-12-6- Standard SMILES
Cc1[nH]c(C(=O)O)c(C)c1[N+](=O)[O-]- InChIKey
KETFLRPGHDJTMS-UHFFFAOYSA-N- Molecular formula
- C7H8N2O4
- Average molar mass
- 184.15 g/mol
- Monoisotopic mass
- 184.04840674
Names & identifiers
- Preferred name
- 3,5-Dimethyl-4-nitro-1H-pyrrole-2-carboxylic acid
- IUPAC
- 3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylic acid
- English name
- 3,5-Dimethyl-4-nitro-1H-pyrrole-2-carboxylic acid
- Molecular formula
- C7H8N2O4
- Molecular weight
- 184.15
Names & synonyms
3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylic acid17106-12-6RefChem:271923MFCD030437903,5-dimethyl-4-nitropyrrole-2-carboxylic acidDTXSID001231294SBB013633STK688174AKOS003601426SY413834DB-151151ST4127292
Show more names
Cannabidiol Impurity 61H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-nitro-
CS-0245420EN300-3048491
Database identifiers
- CAS
17106-12-6- PubChem CID
- 4494560
- DTXSID
DTXSID001231294
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 384.9 · 384.9±42.0 °C(Predicted)
- Density
- 1.477 · 1.477±0.06 g/cm3(Predicted)
- pka
- 4.32 · 4.32±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…