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61-73-4 molecular structure
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7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium chloride

ChemBase ID: 128361
Molecular Formular: C16H18ClN3S
Molecular Mass: 319.85222
Monoisotopic Mass: 319.09099627
SMILES and InChIs

SMILES:
CN(C)c1ccc2c(c1)sc1cc(=[N+](C)C)ccc1n2.[Cl-]
Canonical SMILES:
CN(c1ccc2c(c1)sc1c(n2)ccc(=[N+](C)C)c1)C.[Cl-]
InChI:
InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1
InChIKey:
CXKWCBBOMKCUKX-UHFFFAOYSA-M

Cite this record

CBID:128361 http://www.chembase.cn/molecule-128361.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium chloride
IUPAC Traditional name
7-(dimethylamino)-N,N-dimethylphenothiazin-3-iminium chloride
Synonyms
Methylene blue
Methylene Blue solution
Loeffler’s alkaline methylene blue stain solution
Methylene Blue - potassium hydroxide solution
Methylene Blue solution alkaline according to Loeffler
Ehrlich’s reagent III
Loeffler’s Methylene Blue
Methylene Blue – potassium hydroxide solution
Methylene Blue trihydrate
Methylene Blue
亚甲蓝 溶液
Methylene Blue solution alkaline according to Loeffler
亚甲蓝 三水合物
亚甲基兰
CAS Number
61-73-4
7220-79-3
EC Number
231-791-2
200-515-2
MDL Number
MFCD00012111
Beilstein Number
3599847
3641570
PubChem SID
24884898
162222669
24858888
24850898
PubChem CID
6099
CHEBI ID
6872
ATC CODE
V03AB17
V04CG05
CHEMBL
405110
Chemspider ID
5874
Unique Ingredient Identifier
8NAP7826UB
Wikipedia Title
Methylene_blue
Color Index Number
52015

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6216443  LogD (pH = 7.4) -0.61979914 
Log P -0.6197756  Molar Refractivity 103.881 cm3
Polarizability 32.736115 Å3 Polar Surface Area 18.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Melting Point
100-110 °C (with decomposition) expand Show data source
190 °C (dec.)(lit.) expand Show data source
Boiling Point
Decomposes expand Show data source
Flash Point
113 °F expand Show data source
14 °C expand Show data source
29 °C expand Show data source
45 °C expand Show data source
57.2 °F expand Show data source
84.2 °F expand Show data source
Density
0.98 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.347 expand Show data source
Absorption Wavelength
λmax 665 nm expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1170 expand Show data source
1993 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
German water hazard class
2 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
3 expand Show data source
Risk Statements
10 expand Show data source
11 expand Show data source
22 expand Show data source
Safety Statements
16 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
GHS Hazard statements
H225 expand Show data source
H226 expand Show data source
H302 expand Show data source
GHS Precautionary statements
P210 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Gloves expand Show data source
RID/ADR
UN 1170 3/PG 2 expand Show data source
UN 1993 3/PG 3 expand Show data source
Purity
≥98.5% expand Show data source
1% w/v aq. soln. expand Show data source
Concentration
~0.5 % (w/v) in H2O expand Show data source
0.05 wt. % in H2O expand Show data source
1.4 % (w/v) in 95% ethanol expand Show data source
Grade
for microbiology expand Show data source
for microscopy expand Show data source
JIS special grade expand Show data source
Compostion
dye (C.I.No. 52015), 0.3 % (w/v) (in ethanol:0.1% aqueous KOH 3:10) expand Show data source
Suitability
suitable for bacterial staining expand Show data source
Clinical
for in vitro diagnostic use expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
(limited; expiry date on the label) expand Show data source
Quality Level
IVD expand Show data source
Empirical Formula (Hill Notation)
C16H18ClN3S expand Show data source
C16H18ClN3S · 3H2O expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 77515 external link
Components
Composition:methylene blue 0.3 gethanol 30 mlwater 100 ml
Application
Loefflers Methylene Blue stain is used for the identification of diphteria bacilli, since it differentiates the deeply staining metachromatic granules from the pale blue-staining cytoplasm.
Sigma Aldrich - 66725 external link
Other Notes
Prepared according to Clark1
Sigma Aldrich - 50484 external link
Components
reagent contains:methylene blue 0.5 gdistilled water 100 ml
General description
Methylene Blue was earlier recognized as a good nuclear stain, the staining solutions are always either aged or alkalized, if not both. More importantly it is an excellent stain for ribonucleic acid, which is the important stainable constituent of bacterial bodies, of lymphocyte and hemoportoal cytoplasm, and of nerve cell tigroid granules. It can also be employed in capsule stain. The capsule stain begins as a negative stain leaving the organisms colorless. The capsule are clearly seen as halo surrounding the bacterial cell. Another staining procedure is performed with nigrosin (Fluka 43925).
Sigma Aldrich - 1808 external link
Application
Used as a nuclear counterstain in the various Lymphocyte Enzyme kits, Procedure No. 181
Sigma Aldrich - 319112 external link
Packaging
100 mL in glass bottle
Sigma Aldrich - 19-3240 external link
Suitability
bacterial staining

REFERENCES

REFERENCES

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PATENTS

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