Compound: CYANURIC ACID
SMILES: O=c1[nH]c(=O)[nH]c([nH]1)=O
InChIKey: ZFSLODLOARCGLH-UHFFFAOYSA-N
Synonyms: CYANURIC ACID, 108-80-5, 1,3,5-Triazine-2,4,6-triol, Isocyanuric acid, Trihydroxycyanidine, Tricyanic acid, 1,3,5-triazinane-2,4,6-trione, sym-Triazinetriol, Pseudocyanuric acid, 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, Isocyanurate acid, 2,4,6-Trihydroxy-1,3,5-triazine, s-Triazine-2,4,6-triol, Kyselina kyanurova, s-2,4,6-Triazinetriol, Trihydroxytriazine, s-Triazine-2,4,6(1H,3H,5H)-trione, sym-triazine-2,4,6-triol, DTXSID7024873, 2,4,6-Trihydroxy-S-triazine, H497R4QKTZ, CP 4789, NSC-6284, DTXCID304873, CHEBI:17696, CHEBI:38028, 203-618-0, RefChem:580168, s-Triazinetriol, Tricarbimide, s-Cyanuric acid, Cyanuric acid (VAN), s-Triazinetrione, Kyselina kyanurova [Czech], 5-Azabarbituric acid, cyanurate, Cyanursaure, Triazinetrione, Triazine-2,4,6-triol, NSC 6284, s-Triazine-2,4,6-trione, 2,4,6-Triazinetrione, 135581-61-2, 2,4,6-Trihydroxytriazine, 1,3,5-Triazin-2,4,6-triol, 1,3,5-triazine-2,4,6-trione, MFCD00082990, Triazine-2,4,6(1H,3H,5H)-trione, 2,4,6-Trioxohexahydro-1,3,5-triazine, Caswell No. 862, CAS-108-80-5, CCRIS 5895, HSDB 2818, EINECS 203-618-0, UNII-H497R4QKTZ, Cyanuric Acid (1.0 mg/10 mL in 84:16% ACN:H2O), EPA Pesticide Chemical Code 081402, isocyanurate, Trihydroxy-1,3,5-triazine, Cyanursaeure, Isocyanursaeure, Isozyanursaeure, Zyanursaeure, Zyanursaure, AI3-26483, iso cyanuric acid, WDL, Normal cyanuric acid, s-2,6-Triazinetriol, Cyanuric acid, 98%, s-Triazine-2,6-triol, bmse000135, Kyselina kyanurova(CZECH), EC 203-618-0, CYANURIC ACID [MI], SCHEMBL20706, SCHEMBL24459, CYANURIC ACID [HSDB], SCHEMBL976613, CHEMBL243087, orb1705360, orb3139491, SCHEMBL12145619, SCHEMBL17837000, SCHEMBL30783024, MSK6605, NSC6284, 2,6-Trihydroxy-1,3,5-triazine, Cyanuric acid, analytical standard, WLN: T6N CN ENJ BQ DQ FQ, Tox21_202362, Tox21_303192, BBL002489, EBC-13199, SBB008924, STK386958, (C O)3 (N H)3, AKOS000297068, AKOS023552913, s-Triazine-2,6(1H,3H,5H)-trione, CS-W011123, FC20672, HY-W010407, SB73670, NCGC00249215-01, NCGC00257109-01, NCGC00259911-01, 504-19-8, AC-11368, AS-14694, DB-040845, 1,5-Triazine-2,4,6(1H,3H,5H)-trione, NS00009566, ST50873783, EN300-24846, C06554, E82993, s-Triazine-2,4,6(1H,3H,5H)-trione (8CI), 1,3,5-Triazine-2,4, 6(1H,3H,5H)-trione, Cyanuric acid, purum, anhydrous, >=98.0% (T), F240799, Q411314, 1,3,5-Triazine-2,4,6-triol (ACD/Name 4.0), Cyanuric Acid (1 mg/10 mL in 84:16% ACN:H2O), F0001-0180, Z203045102, InChI=1/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9
Theoretical properties:
molecular_formula: C3H3N3O3
molecular_weight: 129.07 g/mol
exact_mass: 129.01744097 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 9
topological_polar_surface_area: 87.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White crystalline solid
color: White crystalline solid
odor: Odorless
boiling_point: DECOMPOSES (NTP, 1992)
melting_point: greater than 680 °F (DEC.) (NTP, 1992)
density: 2.5 at 68 °F (NTP, 1992) - Denser than water; will sink
solubility: 0.5 mL (NTP, 1992)
vapor_pressure: 0.00000003 [mmHg]
Descriptions:
pubchem: Cyanuric acid is the enol tautomer of isocyanuric acid. It has a role as a xenobiotic. It is a member of 1,3,5-triazines and a heteroaryl hydroxy compound. It is a tautomer of an isocyanuric acid.
chebi: The keto tautomer of cyanuric acid.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Cyanuric acid or 1,3,5-triazine-2,4,6-triol is a chemical compound with the formula (CNOH)3. Like many industrially useful chemicals, this triazine has many synonyms. This white, odorless solid finds use as a precursor or a component of bleaches, disinfectants, and herbicides. In 1997, worldwide production was 160,000 tonnes (180,000 short tons; 350,000,000 lb).