Phenol, 2,4-dimethyl-6-nitro-
Basic information
- CAS
14452-34-7- Standard SMILES
Cc1cc(C)c(O)c([N+](=O)[O-])c1- InChIKey
KJRCHILWKQLEBC-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- Phenol, 2,4-dimethyl-6-nitro-
- IUPAC
- 2,4-dimethyl-6-nitrophenol
- English name
- 2,4-Dimethyl-6-nitrophenol
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
2,4-Dimethyl-6-nitrophenolPhenol, 2,4-dimethyl-6-nitro-6-Nitro-2,4-xylenolEINECS 238-436-0BT623LZM9U4,6-DIMETHYL-2-NITROPHENOLDTXSID00657712,4-XYLENOL, 6-NITRO-RefChem:172728DTXCID2034704238-436-014452-34-7
Show more names
2-Nitro-4,6-dimethylphenol2,4-dimethyl-6-nitro-pheno2,4-Dimethyl-6-nitropheneol2,4-Dimethyl-6-nitrophenol>2,4-dimethyl-6-nitrophenolate6-Nitro-2,4-xylenol, 4-Hydroxy-5-nitro-m-xylene2,4-DiMethyl-6-nitrophenol[2-Nitro-4,6-diMethylphenol]
MFCD00191633UNII-BT623LZM9UOprea1_1826162,4-dimethyl-6-nitro-phenolSCHEMBL10749719SCHEMBL28288448KJRCHILWKQLEBC-UHFFFAOYSA-NSTK036128
Database identifiers
- CAS
14452-34-7- PubChem CID
- 84450
- DTXSID
DTXSID0065771- UNII
- BT623LZM9U
- EC Number
- 238-436-0
- Nikkaji
- J217.021C
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
- 71 °C · 71°C
- Boiling point
- 260.3 · 260.3±35.0 °C(Predicted)
- Density
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 7.81 · 7.81±0.38(Predicted)
- color
- Light yellow to Brown
- CAS DataBase Reference
- 14452 · 14452-34-7(CAS DataBase Reference)
- FDA UNII
- 623 LZM9U · BT623LZM9U
- EPA Substance Registry System
- 2 · Phenol, 2,4-dimethyl-6-nitro- (14452-34-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2908990000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,4-dimethyl-6-nitro-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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