CAS 115-41-3 Pyrocatechol Violet (HCID 66993)

Overview

triphenylmethane dye which inhibits synthesis of globin in reticulocyte lysates; inhibits initiation of protein synthesis; structure

Names & identifiers

Preferred name: Pyrocatechol Violet
IUPAC: 4-[3-(3,4-dihydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]benzene-1,2-diol
English name: Pyrocatechol Violet
Molecular formula: C19H14O7S
Molecular weight: 386.38

Names & synonyms

Pyrocatechol violet115-41-31,2-Benzenediol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-DTXSID8059429RefChem:870973DTXCID3033355204-088-3Catechol violetPyrocatechinsulfonephthaleinPyrocatecholsulfonphthaleinstarbld0016674Catechol violet indicator

Show more names

Catechol vloietPyrocatecholVioleCatechol Violet ARPyrocatecholVioletGrsuitable for indicatorCatecholsulfonphthaleinCATECHOLSULFONAPHTHALEINPyrocatechol violet (6CI)

MFCD00005868Pyrocatechol sulfonphthaleinNSC88054-[3-(3,4-dihydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]benzene-1,2-diolPKF3,3-bis(3,4-dihydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide4,4'-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[1,2-benzenediol]NSC 8805; PKF; Pyrocatechin sulfonephthalein; Pyrocatechin violet; Pyrocatechol sulfonephthalein;

Database identifiers

CAS: 115-41-3
PubChem CID: 66993
DTXSID: DTXSID8059429
ChEMBL: CHEMBL210574
EC Number: 204-088-3、680-592-0

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 133 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 27
Formal charge: 0
Complexity: 619

Experimental & physicochemical properties

Chemical ClassesDyes -> Indicator Dyes

Physical DescriptionCrystalline powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 185 °C · 185 °C (dec.)(lit.)
Boiling point: 659.5 · 659.5±55.0 °C(Predicted)
Density: 1.632 · 1.632±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer, Under inert atmosphere
solubility: 2 O: · H2O: 1 mg/mL, clear, red
form: Metallic or Crystalline Powder
pka: 7.21 · 7.21±0.10(Predicted)
color: Dark red-brown
PH Range: 6 · 6.0(YELLOW)-7.0(PURPLE)-9.0(PURPLISH RED)
Water Solubility: Soluble in water, ethylene glycol, monomethyl ether and ethanol.
BRN: 353938 · 353938
Stability: Stable. Incompatible with strong oxidizing agents.
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: 1S/C19H14O7S/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26/h1-10,20,22-23H,(H,24,25,26)/b19-12+
InChIKey: HGPSVOAVAYJEIJ-XDHOZWIPSA-N
SMILES: Oc1ccc(cc1O)C(=C2\C=CC(=O)C(O)=C2)\c3ccccc3S(O)(=O)=O
CAS DataBase Reference: 115 · 115-41-3(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1,2-Benzenediol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis- (115-41-3)
UNSPSC Code: 12171500 · 12171500
NACRES: 47 · NA.47
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P280
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 32041900 · 32041900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Regulatory Information · 2 items

Chemical: 1,2-Benzenediol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide

1,2-Benzenediol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Acute Tox. 4 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
hs_code: 32041900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P271-P280

Chemistry & industry

Uses & manufacturing

UsesIndicator for metal titration; [Sigma-Aldrich] Dye that inhibits synthesis of globin in reticulocyte lysates; Also inhibits initiation of protein synthesis; [ChemIDplus]

General Manufacturing Information1,2-Benzenediol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-: ACTIVE

Applications · 2 items

UsesA complexometric indicator.

UsesPyrocatechol Violet is a complexometric indicator dye. This phthalein dye chelates metals to form blue to blue-violet complexs. It is also a pH indicator with a transition interval from 0 - 8 (red to violet). It is known to be unstable when alkaline. The stability is improved at a neutral pH. When the pH is between 2-7 the color may be yellow. Dyes and metabolites.

Upstream & downstream products

Upstream raw materials

Saccharin Catechol

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

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Basic information