Input interpretation
bromocresol green, sodium salt
Chemical names and formulas
formula | NaOSO_2C_6H_4C[C_6HCH_3Br_2OH]:C_6HCH_3Br_2(:O) Hill formula | C_21H_13Br_4NaO_5S name | bromocresol green, sodium salt IUPAC name | sodium 2, 6-dibromo-4-[9-(3, 5-dibromo-4-hydroxy-2-methyl-phenyl)-7, 7-dioxo-8-oxa-7λ 6 -thiabicyclo[4.3.0]nona-1, 3, 5-trien-9-yl]-3-methyl-phenolate mass fractions | Br (bromine) 44.4% | C (carbon) 35% | H (hydrogen) 1.82% | Na (sodium) 3.19% | O (oxygen) 11.1% | S (sulfur) 4.45%
Structure diagram
Structure diagram
vertex count | 32 edge count | 35 Schultz index | 9016 Wiener index | 2135 Hosoya index | 1.926×10^6 Balaban index | 1.84
Basic properties
molar mass | 720 g/mol phase | solid (at STP) melting point | 225 °C
Units
Chemical identifiers
CAS number | 62625-32-5 PubChem CID number | 106786 SMILES identifier | CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)[O-])Br)Br)O)Br.[Na+] InChI identifier | InChI=1/C21H14Br4O5S.Na/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28, 29)30-21;/h3-8, 26-27H, 1-2H3;/q;+1/p-1/fC21H13Br4O5S.Na/h26h;/q-1;m EU number | 263-657-4
NFPA label
NFPA label
NFPA health rating | 1 NFPA fire rating | 0 NFPA reactivity rating | 0