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ABPS

ABPS structure

CAS No:
7545-50-8
Formula:
C12H12N2O4S
Chemical Name:
ABPS
Synonyms:
Phenol,4,4′-sulfonylbis[2-amino-;4,4′-Sulfonylbis[2-aminophenol];3,3′-Diamino-4,4′-dihydroxydiphenyl sulfone;Bis(3-amino-4-hydroxyphenyl)sulfone;4,4′-Sulfonylbis(o-aminophenol);2,2′-Diamino-4,4′-sulfonyldiphenol;NSC 155173;2,2′-Bis(3-amino-4-hydroxyphenyl) sulfone;ABPS;4,4′-Dihydroxy-3,3′-diaminophenylsulfone;DABS;2-Amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol
Categories:
Chemical Reagents > Organic Reagents

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ABPS Basic Attributes

Molecular Weight：

280.3

Exact Mass：

280.30

EC Number：

231-428-8

NSC Number：

155173

DSSTox ID：

DTXSID40226383

HScode：

2922299090

Characteristics

PSA：

135

XLogP3：

0.6

Appearance：

Baby pink powder

Density：

1.6±0.1 g/cm3

Melting Point：

227-228 °C (decomp)

Boiling Point：

596.9°C at 760 mmHg

Flash Point：

314.8±30.1 °C

Refractive Index：

1.717

Water Solubility：

>42 [ug/mL]

Safety Information

Hazard category：

IRRITANT

safety instructions：

22-24/25

Precautionary statement(s)：

P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

ABPS Use and Manufacturing

To the reaction kettle was added 3.4 kg of 3, 3'-dinitro-4, 4'-dihydroxydiphenyl sulfone, 9.5 kg of dimethyl sulfoxide, 3.18 publicKg 5.3 kg aqueous ammonium chloride, warmed to 50 , 2.5 kg was added reduced iron powder (molar ratio: 3, 3'-dinitro-4, 4'-Dihydroxydiphenylsulfone: iron: chloride: Water: DMSO = 1: 4.5: 6: 29: 12), until after completion of the reaction material, Hot filtered, washing the filter cake with hot dimethylsulfoxide and the combined filtrate evaporated under reduced pressure to a mixed solution of dimethyl sulfoxide and water, precipitationAfter the solid distillation was stopped, cooled to 5 by filtration, washed with water, and dried to obtain 2.6 kg of 3, 3'-diamino-4, 4'-dihydroxydiphenyl sulfone, Yield 93percent.To the kettle was added 40. 8 g3, 3'-dibromo-4, 4'-dihydroxydiphenylsulfone, 250 ml of N-methylpyrrolidone and28 g ammonia solution (molar ratio: 3, 3 '- dibromo - 4, 4' - dihydroxydiphenyl sulfone: N - methyl pyrrolidone: ammonia water = 1: 26: 8) to 150 ° C, After completion of the reaction, 160 ml of the solvent was distilled off under reduced pressure, and the remaining reaction solution was poured into water, filtered, washed with water and dried to give 27.4 g of 3, 3'-diamino-4, 4'-dipyldibenzene, Yield 98percent.

Computed Properties

Molecular Weight:280.30
XLogP3:0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:280.05177804
Monoisotopic Mass:280.05177804
Topological Polar Surface Area:135
Heavy Atom Count:19
Complexity:376
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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