Tìm theo
2,4-Dinitrophenol
Thuốc Gốc
Small Molecule
CAS: 51-28-5
CTHH: C6H4N2O5
PTK: 184.1064
A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed)
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H4N2O5
Phân tử khối
184.1064
Monoisotopic mass
184.012021248
InChI
InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
InChI Key
InChIKey=UFBJCMHMOXMLKC-UHFFFAOYSA-N
IUPAC Name
2,4-dinitrophenol
Traditional IUPAC Name
2,4-dinitrophenol
SMILES
OC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
Độ tan chảy
115.5 °C
Độ hòa tan
2790 mg/L (at 20 °C)
logP
1.67
logS
-2.7
pKa (strongest acidic)
4.04
pKa (Strongest Basic)
-7.8
PSA
111.87 Å2
Refractivity
42.69 m3·mol-1
Polarizability
14.48 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
pKa
4.09 (at 25 °C)
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04528
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=1493
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507895
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C02496
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