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Pyrocatechol violet

Pyrocatechol violet structure

CAS No:
115-41-3
Formula:
C19H14O7S
Chemical Name:
Pyrocatechol violet
Synonyms:
1,2-Benzenediol,4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-;Pyrocatechol,4,4′-(3H-2,1-benzoxathiol-3-ylidene)di-,S,S-dioxide;Pyrocatechol violet;1,2-Benzenediol,4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis-,S,S-dioxide;3H-2,1-Benzoxathiole,1,2-benzenediol deriv.;4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[1,2-benzenediol];3H-2,1-Benzoxathiole,3,3-bis(3,4-dihydroxyphenyl)-,1,1-dioxide;PKF;Catechol violet;Pyrocatechin sulfonephthalein;Pyrocatechol sulfonephthalein;Pyrocatechin violet;NSC 8805;3,3-Bis(3,4-dihydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide;3117-41-7;51433-99-9;68943-33-9;387360-51-2;401599-91-5;682345-39-7;720671-79-4
Categories:
Chemical Reagents > Organic Reagents

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Pyrocatechol violet Basic Attributes

Molecular Weight：

386.375

Exact Mass：

386.38

EC Number：

204-088-3

NSC Number：

8805

DSSTox ID：

DTXSID8059429

HScode：

2934991000

Characteristics

PSA：

132.67000

XLogP3：

1.82

Appearance：

greenish yellow powder

Density：

1.6±0.1 g/cm3

Melting Point：

211 °C (decomp)

Boiling Point：

659.5±55.0 °C at 760 mmHg

Flash Point：

352.7±31.5 °C

Refractive Index：

1.740

Storage Conditions：

Store in a cool, dry place. Keep container closed when not in use.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S24/25

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

pyrocatechol violet

Pyrocatechol violet Use and Manufacturing

Manufacturing Info：

1,2-Benzenediol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-: ACTIVE

Computed Properties

Molecular Weight:386.4
XLogP3:2.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:386.04602395
Monoisotopic Mass:386.04602395
Topological Polar Surface Area:133
Heavy Atom Count:27
Complexity:619
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Catechol

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