93952-18-2
C₁₄H₉Cl₅·362.500 g/mol·CID 12358559
IUPAC: 1-chloro-2,3,5,6-tetradeuterio-4-[2,2,2-trichloro-1-(4-chloro-2,3,5,6-tetradeuteriophenyl)ethyl]benzene
Also known as: p,p'-DDT-d8, DTXSID401028081, RefChem:1094121, DTXCID301513649, 4,4'-DDT D8 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
362.500g/mol
Exact Mass
361.961953Da
Monoisotopic Mass
359.964903Da
XLogP
6.9
Polar Surface Area
0.0Ų
Complexity
250
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
0
Rotatable Bonds
2
Heavy Atoms
19
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 362.5 g/mol
MW ≤ 500
✗ 6.9
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 0
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
GHS Hazard Classification
Danger
Hazards
H301Toxic if swallowedH351Suspected of causing cancerH372Causes damage to organs through prolonged or repeated exposureH400Very toxic to aquatic lifeH410Very toxic to aquatic life with long lasting effects
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H/i1D,2D,3D,4D,5D,6D,7D,8D
Isomers8 compounds with formula C₁₄H₉Cl₅
1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
CID 3036 · 354.5 g/mol
1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
CID 13089 · 354.5 g/mol
1-chloro-3-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
CID 20328 · 354.5 g/mol
1-chloro-2-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]benzene
CID 154395 · 354.5 g/mol
2,4-dichloro-1-(2,2,2-trichloro-1-phenylethyl)benzene
CID 13829181 · 354.5 g/mol
1-chloro-3-[2,2,2-trichloro-1-(3-chlorophenyl)ethyl]benzene
CID 36323 · 354.5 g/mol
1-chloro-2-[(1S)-2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
CID 45356237 · 354.5 g/mol
1-chloro-2-[(1R)-2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
CID 76962563 · 354.5 g/mol