Tìm theo
Trinitrotoluene
Các tên gọi khác (5 ) :
  • 2,4,6-TNT
  • 2,4,6-trinitrotoluene
  • 2,4,6-Trinitrotoluol
  • TNT
  • α-TNT
explosive agents
Thuốc Gốc
Small Molecule
CAS: 118-96-7
CTHH: C7H5N3O6
PTK: 227.1311
A 2,4,6-trinitrotoluene is an explosive chemical that can cause skin irritation and other toxic consequences. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C7H5N3O6
Phân tử khối
227.1311
Monoisotopic mass
227.017834907
InChI
InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
InChI Key
InChIKey=SPSSULHKWOKEEL-UHFFFAOYSA-N
IUPAC Name
2-methyl-1,3,5-trinitrobenzene
Traditional IUPAC Name
trinitrotoluene
SMILES
CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
Độ tan chảy
80.1 °C
Độ hòa tan
115 mg/L (at 23 °C)
logP
1.60
logS
-3.5
pKa (strongest acidic)
16.99
PSA
137.46 Å2
Refractivity
53.07 m3·mol-1
Polarizability
17.9 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
6
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01676
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=8376
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507069
ChemSpider
http://www.chemspider.com/Chemical-Structure.8073.html
Wikipedia
http://en.wikipedia.org/wiki/Trinitrotoluene
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