Basic information
- CAS
303-21-9- Standard SMILES
Cc1c([N+](=O)[O-])cc(C(C)C)c(O)c1[N+](=O)[O-]- InChIKey
XBCVBHKJVWVNID-UHFFFAOYSA-N- Molecular formula
- C10H12N2O5
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.07462149
Names & identifiers
- Preferred name
- Phenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro-
- IUPAC
- 3-methyl-2,4-dinitro-6-propan-2-ylphenol
- English name
- 2,6-dinitrothymol
- Molecular formula
- C10H12N2O5
- Molecular weight
- 240.21
Names & synonyms
Dinitrothymol 1-2-4Thymol, 2,6-dinitro-Dinitrothymol 1-2-4 [French]Phenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro-m-Cresol, 2,4-dinitro-6-isopropyl-NSC 6767EINECS 206-135-3m-Cresol, 2,4-dinitro-6-isobropyl-BRN 2059319AI3-15485DTXSID60597863-06-00-01911 (Beilstein Handbook Reference)
Show more names
Dinitrothymol2-Isopropyl-5-methyl-4,6-dinitrophenol2,4-Dinitro-6-isopropyl-3-methylphenol6-Isopropyl-3-methyl-2,4-dinitrophenol3-methyl-2,4-dinitro-6-propan-2-ylphenol3-methyl-2,4-dinitro-6-propan-2-yl-phenol
RefChem:860908DTXCID10381652,6-DINITROTHYMOL2,4-Dinitrothymol303-21-9HWQ252SSA6NSC-67673-methyl-6-(methylethyl)-2,4-dinitrophenol
Database identifiers
- CAS
303-21-9- PubChem CID
- 9339
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 250 °C · >250°C
- Boiling point
- 382.92 °C · 382.92°C (rough estimate)
- Density
- 1.3518 · 1.3518 (rough estimate)
- refractive index
- 1.662 · 1.6620 (estimate)
- solubility
- Solubility Insoluble in water; soluble in ethanol, methanol
- pka
- 4.86 · 4.86(at 25℃)
- form
- crystals
- color
- Yellow
- PH Range
- Colorless (2.2) to yellow (3.4)
- Major Application
- Antileishmanial drug
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 252 SSA6 · HWQ252SSA6
- EPA Substance Registry System
- 3 · Phenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro- (303-21-9)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 3-methyl-6-(1-methylethyl)-2,4-dinitro-: INACTIVE
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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