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Phenolindophenol

Phenolindophenol structure

CAS No:
500-85-6
Formula:
C12H9NO2
Chemical Name:
Phenolindophenol
Synonyms:
2,5-Cyclohexadien-1-one,4-[(4-hydroxyphenyl)imino]-;Indophenol;4-[(4-Hydroxyphenyl)imino]-2,5-cyclohexadien-1-one;Benzenoneindophenol;Phenolindophenol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

ChEBI: A quinone imine obtained by formal condensation of one of the keto groups of benzoquinone with the amino group of 4-hydroxyaniline.

Indophenol is a quinone imine obtained by formal condensation of one of the keto groups of benzoquinone with the amino group of 4-hydroxyaniline. It has a role as a dye.|A deep blue dye (with the formula OC6H4NC6H4OH) used to detect AMMONIA in a common test called the Berthelot's reaction and to detect PARACETAMOL by spectrophotometry.

Phenolindophenol Basic Attributes

Molecular Weight：

199.20500

Exact Mass：

199.21

EC Number：

207-913-5

DSSTox ID：

DTXSID2075425

HScode：

2925290090

Characteristics

PSA：

49.66000

XLogP3：

2.15980

Density：

1.18g/cm3

Melting Point：

160 °C

Boiling Point：

360ºC at 760mmHg

Flash Point：

171.5ºC

Refractive Index：

1.6

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

S26-S36

RTECS Number：

GU5778000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

MeSH Entry Terms：

Indophenol

Phenolindophenol Use and Manufacturing

Indophenol is an artificial blue metachromatic dye. The formation of Indophenol can be used to determine ammonia and paracetamol by spectrophotometry.

Computed Properties

Molecular Weight:199.20
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:199.063328530
Monoisotopic Mass:199.063328530
Topological Polar Surface Area:49.7
Heavy Atom Count:15
Complexity:316
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes