- Product Details
Keywords
- Benzene,1,2,3-triiodo-4-methyl-5-nitro-
- 5411-52-9
- 98%
Quick Details
- ProName: Benzene,1,2,3-triiodo-4-methyl-5-nitro...
- CasNo: 5411-52-9
- Molecular Formula: C7H4 I3 N O2
- Appearance: powder
- Application: Organic Chemicals
- DeliveryTime: according to client's demand quantity
- PackAge: as requested
- Port: SHANGHAI
- ProductionCapacity: 100 Kilogram/Month
- Purity: 99%
- Storage: room temperature
- Transportation: as requested
- LimitNum: 1 Kilogram
- Heavy metal: N/A
- Grade: Industrial Grade
Superiority
Details
【Name】
Benzene,1,2,3-triiodo-4-methyl-5-nitro-
【Iupac name】
1,2,3-triiodo-4-methyl-5-nitrobenzene
【CAS Registry number】
5411-52-9
【Synonyms】
NSC10982
【Molecular Formula】
C7H4 I3 N O2 (Products with the same molecular formula)
【Molecular Weight】
514.8256
【Inchi】
InChI=1/C7H4I3NO2/c1-3-5(11(12)13)2-4(8)7(10)6(3)9/h2H,1H3
【Canonical SMILES】
CC1=C(C(=C(C=C1[N+](=O)[O-])I)I)I
Chemical and Physical Properties
【Density】
2.801g/cm3
【Boiling Point】
410.7°C at 760 mmHg
【Refractive Index】
1.769
【Flash Point】
202.2°C
【Computed Properties】
Molecular Weight:514.82557 [g/mol]
Molecular Formula:C7H4I3NO2
XLogP3-AA:4.1
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:514.737607
MonoIsotopic Mass:514.737607
Topological Polar Surface Area:45.8
Heavy Atom Count:13
Formal Charge:0
Complexity:208
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:3
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1