Basic information
- CAS
577-71-9- Standard SMILES
O=[N+]([O-])c1ccc(O)cc1[N+](=O)[O-]- InChIKey
AKLOLDQYWQAREW-UHFFFAOYSA-N- Molecular formula
- C6H4N2O5
- Average molar mass
- 184.11 g/mol
- Monoisotopic mass
- 184.01202123
Names & identifiers
- Preferred name
- 3,4-Dinitrophenol
- IUPAC
- 3,4-dinitrophenol
- English name
- 3,4-Dinitrophenol
- Molecular formula
- C6H4N2O5
- Molecular weight
- 184.11
Names & synonyms
3,4-DINITROPHENOLPhenol, 3,4-dinitro-3,4-Dinitrofenol3,4-DNP6,5-DinitrophenolCCRIS 31053,4-Dinitrofenol [Czech]EINECS 209-415-3BRN 1969398UNII-I108F156M4I108F156M4CHEBI:39358
Show more names
3,4-dinitro-pheno3,4-Dinitrophenol, wetted3,4-Dinitrophenol(wetted with water >15%)3,4-dinitrophenol moistened with water (H2O ~20%)3,4-Dinitrophenol Moistened with water, >=97.0% (HPLC)
DTXSID80206407PHENOL, .DELTA.-DINITRO-4-06-00-01384 (Beilstein Handbook Reference)RefChem:91233PHENOL, DELTA-DINITRO-DTXCID40128898209-415-3AKLOLDQYWQAREW-UHFFFAOYSA-N
Database identifiers
- CAS
577-71-9- PubChem CID
- 11348
- DTXSID
DTXSID80206407- ChEMBL
CHEMBL3347427- ChEBI
CHEBI:39358- UNII
- I108F156M4
- EC Number
- 209-415-3
- Nikkaji
- J53.756J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 130 · 130-135 °C
- Boiling point
- 318.03 °C · 318.03°C (rough estimate)
- Density
- 1.672 · 1.6720
- refractive index
- 1.4738 · 1.4738 (estimate)
- solubility
- 1 g/10 · dioxane: soluble1g/10 mL
- pka
- 5.35 · 5.35, 5.42(at 25℃)
- color
- Light yellow needles
- PH Range
- Colorless (4.3) to yellow (6.3)
- BRN
- 1969398 · 1969398
- Major Application
- Lubricants, enzyme assay, antinerve agent, substrate for enzymes, in biotechnological process, for biosensor design
- InChI
- 1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H
- InChIKey
- AKLOLDQYWQAREW-UHFFFAOYSA-N
- SMILES
- Oc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 108 F156M4 · I108F156M4
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
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]；H311: Toxic in contact with skin [Danger Acute toxicity, dermal]；H331: Toxic if inhaled [Danger Acute toxicity, inhalation]；H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
Hazard information
Regulatory InformationPhenol, 3,4-dinitro-: HSNO Approval: HSR005382 Approved with controls
Hazard Classes and Categories
Expl. 1.1 (50%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；STOT RE 2 (100%)；Aquatic Chronic 2 (100%)
Acute toxicity - category 3；Acute toxicity - category 3；Acute toxicity - category 3；Specific target organ toxicity (repeated exposure) - category 2；Hazardous to the aquatic environment (chronic) - category 2
Acute Tox. 3 *；Acute Tox. 3 *；Acute Tox. 3 *；STOT RE 2 *；Aquatic Chronic 2
Regulatory information
Regulatory InformationPhenol, 3,4-dinitro-: HSNO Approval: HSR005382 Approved with controls
Safety data
- wgk
- 3
- rtecs
Chemistry & industry
Applications
UsesThe effect of pH, ionic strength, and compd. concn. on the liposome-water distribution ratio has been investigated for 3,4-Dinitrophenol.
General Description3,4-Dinitrophenol is a nitrophenol derivative.
Suppliers20 total
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Related reactions
19 records
Compound notes
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