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4197-24-4 molecular structure
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4-[(4-amino-3-methylphenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride

ChemBase ID: 108858
Molecular Formular: C21H22ClN3
Molecular Mass: 351.87248
Monoisotopic Mass: 351.1502254
SMILES and InChIs

SMILES:
Cl.Cc1cc(ccc1N)/C(=C/1\C=CC(=N)C=C1)/c1ccc(N)c(C)c1
Canonical SMILES:
N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(c(c2)C)N)/C=C1.Cl
InChI:
InChI=1S/C21H21N3.ClH/c1-13-11-16(5-9-19(13)23)21(15-3-7-18(22)8-4-15)17-6-10-20(24)14(2)12-17;/h3-12,22H,23-24H2,1-2H3;1H
InChIKey:
YCIVZWKFFBDLTG-UHFFFAOYSA-N

Cite this record

CBID:108858 http://www.chembase.cn/molecule-108858.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(4-amino-3-methylphenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride
IUPAC Traditional name
4-[(4-amino-3-methylphenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride
Synonyms
Carbol Fuchsin
Parafuchsin + phenol
Carbol-Fuchsin Dye Powder
CARBOL FUCHSIN
Carbol-Fuchsin solution according to Ziehl-Neelsen
Carbol-fuchsin solution
按照 Ziehl-Neelsen 的石碳酸复红溶液
CAS Number
4197-24-4
EC Number
224-086-6
MDL Number
MFCD00143923
MFCD00013129
PubChem SID
162094354
24853050
24895893
24895894
24892671
24852421
24853049
PubChem CID
5748567

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.723037  LogD (pH = 7.4) 2.3209703 
Log P 3.8412044  Molar Refractivity 126.0365 cm3
Polarizability 38.032394 Å3 Polar Surface Area 75.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
136.4 °F expand Show data source
58 °C expand Show data source
Density
0.99 g/mL at 20 °C expand Show data source
Absorption Wavelength
λmax 547 nm expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2923 expand Show data source
2924 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
8 expand Show data source
Packing Group
2 expand Show data source
3 expand Show data source
Risk Statements
20/21/22-34-68 expand Show data source
45 expand Show data source
45-23/24/25-34-48/20/21/22-68 expand Show data source
45-36/38-68 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
53.1-36/37-45 expand Show data source
53-26-36/37/39-45 expand Show data source
53-45 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H314-H332-H341 expand Show data source
H302-H314-H332-H341-H350-H373 expand Show data source
H350 expand Show data source
GHS Precautionary statements
P201-P280-P305 + P351 + P338-P310 expand Show data source
P201-P308 + P313 expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges expand Show data source
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2923 8/PG 2 expand Show data source
UN 2924 3/PG 3 expand Show data source
Grade
for microscopy expand Show data source
for microscopy (Bact.) expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
phenol expand Show data source
Clinical
for in vitro diagnostic use expand Show data source
Quality Level
IVD expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209012 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - C4165 external link
Other Notes
Mixture of basic fuchsin and phenol.
Packaging
10, 25 g in glass bottle
Sigma Aldrich - HT80116 external link
Application
Intended for use in the Acid Fast Stain, Procedure No. HT80 with Malachite Green counterstain Catalog No. HT80-2
Other Notes
Pararosaniline (certified), 0.85%; phenol, 2.5%; glycerol, 5%; DMSO, 5%, and ethyl alcohol, 5%, in deionized water
Sigma Aldrich - 21818 external link
Other Notes
For demonstrating acid fast bacteria e.g., the modified Ziehl-Neelsen procedure for tuberculosis organisms in tissues1
Sigma Aldrich - HT8018 external link
Application
Intended for use in the Acid Fast Stain, Procedure No. HT80 with Malachite Green counterstain Catalog No. HT80-2
Other Notes
Pararosaniline (certified), 0.85%; phenol, 2.5%; glycerol, 5%; DMSO, 5%, and ethyl alcohol, 5%, in deionized water
Sigma Aldrich - 206938 external link
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 21820 external link
Other Notes
Stain for the assay of acid-resistant rod-shaped bacteria1
Sigma Aldrich - 37-0060 external link
Suitability
nuclear and bacterial staining

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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