Biphenyl
PubChem CID: 7095
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| Compound Synonyms | Biphenyl, 1,1'-Biphenyl, 92-52-4, Phenylbenzene, DIPHENYL, 1,1'-Diphenyl, Bibenzene, Xenene, Phenador-X, Lemonene, Tetrosin LY, Carolid AL, PHPH, Biphenyl [BSI:ISO], 1,1-Biphenyl, DIPHENYL-4-D1, Caswell No. 087, FEMA No. 3129, CCRIS 935, NSC 14916, HSDB 530, UNII-2L9GJK6MGN, MCS 1572, EINECS 202-163-5, CP 390, EPA Pesticide Chemical Code 017002, DTXSID4020161, CHEBI:17097, 1, 1'-Diphenyl, AI3-00036, BIPHENYL [FHFI], BIPHENYL [HSDB], BIPHENYL [ISO], DIPHENYL [MI], MFCD00003054, NSC-14916, 2L9GJK6MGN, DIPHENYL [MART.], 4819-98-1, BIPHENYL [USP-RS], E230, CHEMBL14092, DTXCID60161, INS NO.230, FEMA 3129, INS-230, EC 202-163-5, E-230, DIPHENYL (MART.), BIPHENYL (USP-RS), BNL, CAS-92-52-4, Diphenyl (Biphenyl), Biphenyl-4,4'-d2, diphenyl, 14C-labeled, Dibenzene, meta biphenyl, bi-phenyl, 4-Biphenyl, Diphenyl,(S), Diphenyl (OSHA), Biphenyl-UL-14C, 4,4'-biphenyl, 1,1''-biphenyl, Biphenyl, >=99%, WLN: RR, Biphenyl (ACGIH:OSHA), 1,1'-Biphenyl, 9CI, bmse000506, Biphenyl, analytical standard, Phenylbenzene, 1,1'Biphenyl, BIDD:ER0669, GAA12099, NSC14916, Tox21_202108, Tox21_300167, BDBM50168002, Biphenyl 100 microg/mL in Methanol, Biphenyl, ReagentPlus(R), 99.5%, STL264192, Biphenyl 10 microg/mL in Cyclohexane, AKOS000119944, FB32431, USEPA/OPP Pesticide Code: 017002, NCGC00091836-01, NCGC00091836-02, NCGC00091836-03, NCGC00091836-04, NCGC00254175-01, NCGC00259657-01, Biphenyl, Vetec(TM) reagent grade, 99%, BS-42211, DB-038208, B0224, B0465, Biphenyl, PESTANAL(R), analytical standard, NS00010251, EN300-18009, C06588, G77244, Q410915, Biphenyl, certified reference material, TraceCERT(R), F9995-1632, Biphenyl, United States Pharmacopeia (USP) Reference Standard, 202-163-5, 26008-28-6 |
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| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Description | Fungistat, especies for citrus fruits. It is used as food preservative and flavouring agent. Detected in bilberry, wine grape, carrot, peas, rum, potato, bell pepper, tomato, butter, milk, smoked fatty fish, cocoa, coffee, roast peanuts, olive, buckwheat and tamarind. Generally, the fruit packaging is impregnated with biphenyl, which evaporates into the air space surrounding the fruit. Some biphenyl is absorbed by the fruit skins. Biphenyl is found in many foods, some of which are lovage, carrot, alcoholic beverages, and nuts. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 100.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02766, P05177, P00352, P19793, Q12809, Q16236, P27695, P04792, P05412 |
| Iupac Name | 1,1'-biphenyl |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT208, NPT94 |
| Xlogp | 4.0 |
| Superclass | Benzenoids |
| Subclass | Biphenyls and derivatives |
| Molecular Formula | C12H10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZUOUZKKEUPVFJK-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.459 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 3.69 |
| Synonyms | 1, 1'-Diphenyl, 1,1-Biphenyl, 1,1'-Biphenyl, 1,1'-Biphenyl, 9CI, 1,1'-Biphenyl, butenylated, 1,1'-Diphenyl, Aromatic hydrocarbons, biphenyl-rich, Bibenzene, Biphenyl, Biphenyl [bsi:iso], Biphenyl-UL-14C, Biphenyl, 1,1-, BNL, Butenylated 1,1'-biphenyl, Carolid al, Diphenyl, diphenyl, 14C-labeled, E230, FEMA 3129, Lemonene, Phenador-x, Phenylbenzene, PHPH, Tetrosin LY, Xenene, e230, Diphenyl, 14C-labeled, 1,1'-Biphenyl, 9ci, Biphenyl-ul-14C, Phenador-X, Tetrosin ly |
| Substituent Name | Biphenyl, Hydrocarbon, Aromatic homomonocyclic compound |
| Compound Name | Biphenyl |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.078 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.078 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 154.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.9775143999999996 |
| Inchi | InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H |
| Smiles | C1=CC=C(C=C1)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Biphenyls and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Ainsliaea Macrocephala (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Artemisia Macrocephala (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Atractylodes Japonica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Daucus Sativus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Jurinea Macrocephala (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Lancea Tibetica (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Levisticum Officinale (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all