Triclocarban
CAS Number: 101-20-2
Molecular Mass: 315.6 g/mol
Formula: C13H9Cl3N2O
Smiles: O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1
Synonymes:
Triclocarban, 101-20-2, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea, 3,4,4'-TRICHLOROCARBANILIDE, Cutisan, Procutene, Solubacter, Cusiter, Genoface, Trilocarban, Urea, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)-, 3,4,4'-Trichlorodiphenylurea, Trichlocarban, Triclocarbanum, N-(4-Chlorophenyl)-N'-(3,4-dichlorophenyl)urea, NSC-72005, TCC Soap, 3,4,4'-trichloro carbanilide, 1-(3',4'-Dichlorophenyl)-3-(4'-chlorophenyl)urea, ENT 26925, TCC (soap bacteriostat), Carbanilide, 3,4,4'-trichloro-, CP 78416, N-(3,4-Dichlorophenyl)-N'-(4-chlorophenyl)urea, DTXSID4026214, BGG1Y1ED0Y, EPA Pesticide Chemical Code 027901, CHEBI:48347, NSC72005, DTXCID906214, trichlorcarban, Triclocarben, Dial White, Dial Aloe, Dial Odor Armor, Dial Aloe Aloe, triclorocarbanilide, Dial Gold Bar, Antibacterial Beauty, Dollar General Gold, Image Essentials Gold, RefChem:56162, Antibacterial Ocean Fresh, Antibacterial Golden Burst, Dial Odor Armor Odor Armor, Rite Aid Renewal Gold Deodorant, MegaFresh Antibacterial Deodorant, Coralite Ultra Antibacterial Deodorant, 1st Date antibacterial Deodorant (Gold), 1st Date antibacterial Deodorant (Green), 1st Date antibacterial Deodorant (White), Dial Gold Bar Antibacterial Deodorant Soap, DG Body Antibacterial Deodorant 3.5 oz bar, 202-924-1, Trichlorocarbanilide, TCC, 3,4,4-Trichlorocarbanilide, C13H9Cl3N2O, MFCD00013254, NSC 72005, 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea, NCGC00164034-01, Caswell No. 874, Triclocarban [USAN:INN], Triclocarbanum [INN-Latin], CAS-101-20-2, CCRIS 4880, HSDB 5009, 3,?4,?4'-?Trichlorocarbanilide(Triclocarban), EINECS 202-924-1, UNII-BGG1Y1ED0Y, BRN 2814890, AI3-26925, (Triclocarban), Nipaguard TCC, TCC Triclocarbon, Triclocarban/TCC, 9EG, Urea,4-dichlorophenyl)-, Triclocarban (USP/INN), TRICLOCARBAN [MI], Urea-based compound, 11, TRICLOCARBAN [INN], 3,4'-Trichlorocarbanilide, Epitope ID:858581, EC 202-924-1, TRICLOCARBAN [HSDB], TRICLOCARBAN [USAN], 3,4'-Trichlorodiphenylurea, cid_7547, NCIOpen2_008923, SCHEMBL68658, TRICLOCARBAN [MART.], WLN: GR DMVMR CG DG, 4-12-00-01265 (Beilstein Handbook Reference), MLS002415563, Carbanilide,4,4'-trichloro-, TRICLOCARBAN [USP-RS], TRICLOCARBAN [WHO-DD], orb1302805, orb3140215, CHEMBL1076347, SCHEMBL27313500, BDBM25730, Triclocarban, analytical standard, 3,?4,?4'-?Trichlorocarbanilide, HMS5085G22, HY-B1805, MSK21313, Tox21_112078, Tox21_202030, Tox21_300481, TRICLOCARBAN [USP MONOGRAPH], EBC-26764, s6444, STK730440, 3,4,4'-Trichlorocarbanilide, 99%, AKOS001713711, Tox21_112078_1, CS-7760, DB11155, FT04164, KS-5290, NCGC00164034-02, NCGC00164034-03, NCGC00164034-04, NCGC00164034-05, NCGC00254243-01, NCGC00259579-01, AC-12602, SMR001339078, ST011927, SY017861, 3,4,4'-Trichlorocarbanilide(Triclocarban), NS00000454, T1015, D06223, E77179, EN300-7401785, F463646, Q416579, SR-01000860289, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)-urea, SR-01000860289-2, BRD-K25029121-001-05-8, [(3,4-dichlorophenyl)amino]-N-(4-chlorophenyl)carboxamide, US8815951, 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea, Triclocarban, United States Pharmacopeia (USP) Reference Standard, 3,4,4` Trichlorocarbanilide (Triclocarban), Pharmaceutical Secondary Standard, Certified Reference Material
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1,4-Dioxane | 288.15 | - | 3.841 | [472] |
| 1,4-Dioxane | 293.15 | - | 6.532 | [472] |
| 1,4-Dioxane | 298.15 | - | 8.821 | [472] |
| 1,4-Dioxane | 303.15 | - | 14.82 | [472] |
| 1,4-Dioxane | 308.15 | - | 24.13 | [472] |
| 1,4-Dioxane | 313.15 | - | 34.04 | [472] |
| 1,4-Dioxane | 318.15 | - | 51.5 | [472] |
| Cyclohexane | 288.15 | - | 5.0 × 10⁻⁴ | [472] |
| Cyclohexane | 293.15 | - | 8.0 × 10⁻⁴ | [472] |
| Cyclohexane | 298.15 | - | 0.0012 | [472] |
| Cyclohexane | 303.15 | - | 0.0021 | [472] |
| Cyclohexane | 308.15 | - | 0.0034 | [472] |
| Cyclohexane | 313.15 | - | 0.0052 | [472] |
| Cyclohexane | 318.15 | - | 0.0077 | [472] |
| Ethylene Glycol | 288.15 | - | 0.0241 | [471] |
| Ethylene Glycol | 293.15 | - | 0.0333 | [471] |
| Ethylene Glycol | 298.15 | - | 0.0468 | [471] |
| Ethylene Glycol | 303.15 | - | 0.0575 | [471] |
| Ethylene Glycol | 308.15 | - | 0.0772 | [471] |
| Ethylene Glycol | 313.15 | - | 0.1194 | [471] |
| Ethylene Glycol | 318.15 | - | 0.147 | [471] |
| Water | 303.15 | - | 1.0 × 10⁻⁴ | [471] |
| Water | 308.15 | - | 1.0 × 10⁻⁴ | [471] |
| Water | 313.15 | - | 1.3 × 10⁻⁴ | [471] |
| Water | 318.15 | - | 2.0 × 10⁻⁴ | [471] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 420.9788 |
| PMI2 | 6936.2062 |
| PMI3 | 7323.5163 |
| NPR1 | 0.0575 |
| NPR2 | 0.9471 |
| RadiusOfGyration | 4.8228 |
| InertialShapeFactor | 0.0022 |
| Eccentricity | 0.9983 |
| Asphericity | 0.8374 |
| SpherocityIndex | 0.0190 |
| PBF | 0.2701 |