Basic information
- CAS
18087-10-0- Standard SMILES
Cc1cc(O)c([N+](=O)[O-])cc1C- InChIKey
KGDIYDUZVHFMHQ-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 4,5-Dimethyl-2-nitrophenol
- IUPAC
- 4,5-dimethyl-2-nitrophenol
- English name
- 4,5-Dimethyl-2-nitrophenol
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
4,5-dimethyl-2-nitrophenol18087-10-0Phenol, 4,5-dimethyl-2-nitro-MFCD15527214NSC4086812-nitro-4,5-dimethylphenolSCHEMBL623376-Nitro-3,4-dimethylphenol4,5-dimethyl-2-nitro-phenolSCHEMBL27965342DTXSID10325115KGDIYDUZVHFMHQ-UHFFFAOYSA-N
Show more names
4,5-Dimethyl-2-hydroxynitrobenzene, 4-Hydroxy-5-nitro-o-xylene
TAA08710BBL022755STL199566AKOS009491285AS-8267NSC-408681DB-086069CS-0313668
Database identifiers
- CAS
18087-10-0- PubChem CID
- 349117
- DTXSID
DTXSID10325115
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 87 °C · 87 °C
- Boiling point
- 281.6 · 281.6±35.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- pka
- 7.63 · 7.63±0.27(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P280
- HS Code
- 2908990000 · 2908990000
Safety & regulation
Safety data
- hs_code
- 2908990000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P280
Chemistry & industry
Suppliers6 total
重庆欣博曜生物科技有限公司19122915778 · [email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
7 records
Compound notes
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