Basic information
- CAS
88-87-9- Standard SMILES
O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1O- InChIKey
KESYALTWUAFAAC-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2O5
- Average molar mass
- 218.55 g/mol
- Monoisotopic mass
- 217.9730489
Names & identifiers
- Preferred name
- 4-Chloro-2,6-dinitrophenol
- IUPAC
- 4-chloro-2,6-dinitrophenol
- English name
- 4-CHLORO-2,6-DINITROPHENOL
- Molecular formula
- C6H3ClN2O5
- Molecular weight
- 218.55
Names & synonyms
4-CHLORO-2,6-DINITROPHENOL2,6-Dinitro-4-chlorophenolPhenol, 4-chloro-2,6-dinitro-NSC 6212EINECS 201-863-8AI3-08954DTXSID6058978RefChem:98328DTXCID6048626201-863-888-87-9Phenol,4-chloro-2,6-dinitro-
Show more names
4-chloro-2,6-dinitro-pheno2,6-Dichloro-3-nitrotoulene4-CHLORO-2,6-DINITRO-PHENO,99%
NSC62124-chloro-2,6-dinitrophenul4-Chloro-2,6-dinitro-phenolSCHEMBL6010796NSC-6212MFCD00035746STL196750AKOS016035905
Database identifiers
- CAS
88-87-9- PubChem CID
- 6952
- DTXSID
DTXSID6058978- EC Number
- 201-863-8
- Nikkaji
- J62.488H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 81 °C · 81°C
- Density
- 1.74 · 1.7400
- refractive index
- 1.629 · 1.6290 (estimate)
- pka
- 1 · pK1: 2.97 (25°C)
- EPA Substance Registry System
- 4 · Phenol, 4-chloro-2,6-dinitro- (88-87-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-chloro-2,6-dinitro-: INACTIVE
Suppliers9 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海亚毓生物医药有限公司021-54370211 18051886391 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
菏泽丽泽生物科技有限公司10-15853052 15853052030 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
成都爱斯特化学技术有限公司15928766785 15928766785 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
1 records
Compound notes
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