CAS No.62625-32-5,Bromocresol Green Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	62625-32-5
Name:	Bromocresol Green

Formula:	C₂₁H₁₃Br₄NaO₅S
Molecular Weight:	719.9957
Synonyms:	Phenol,4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-,monosodium salt (9CI);Phenol,4,4'-(3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, S,S-dioxide,monosodium salt;Phenol,4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-,sodium salt (1:1);
EINECS:	263-657-4
Density:	0.981 g/mL at 25 °C
Melting Point:	230 °C (dec.)(lit.)
Solubility:	Soluble in water and ethanol.
Appearance:	dark green to brown crystalline powder
Hazard Symbols:	Xi, Xn
Risk Codes:	36/37/38-20/21/22
Safety:	22-24/25-36-26
PSA:	95.04000
LogP:	8.29440

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Chemistry

Molecule structure of Bromocresol Green (CAS NO.62625-32-5):

IUPAC Name: Sodium 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]-3-methylphenolate
Molecular Weight: 719.99569 g/mol
Molecular Formula: C₂₁H₁₃Br₄NaO₅S
Density: 0.981 g/mL at 25 °C
Melting Point: 230 °C (dec.)(lit.)
Storage Temp.: store at RT.
Stability: Stable. Incompatible with strong oxidizing agents.
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Tautomer Count: 9
Exact Mass: 719.707396
MonoIsotopic Mass: 715.711489
Topological Polar Surface Area: 86.7
Heavy Atom Count: 32
Canonical SMILES: 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: InChI=1S/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
InChIKey: HEFSGAHJDGZCHA-UHFFFAOYSA-M
EINECS: 263-657-4
Product Categories: Organics;Analytical Chemistry;Indicator (pH);pH Indicators

Safety Profile

Hazard Codes: Irritant Xi, Harmful Xn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-24/25-36-26
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3

Specification

Bromocresol Green (CAS NO.62625-32-5) is also named as PBTBO ; Phenol, 4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-
ylidene)bis(2,6-dibromo-3-methyl-, monosodium salt ; Phenol, 4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, sodium salt (1:1) ; Phenol, 4,4'-(3H-1,2-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, S,S-dioxide, monosodium salt ; Sodium alpha-(3,5-dibromo-2-methyl-4-oxo-2,5-cyclohexadienylidene)-alpha-(3,5-dibromo-4-
hydroxyphenyl)toluenesulphonate . Bromocresol Green (CAS NO.62625-32-5) is dark green to brown crystalline powder.