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Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, chloride (1:1)(CAS No. 81-88-9)

Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, chloride (1:1) C28H31N2O3.Cl (cas 81-88-9) Molecular Structure

81-88-9 Structure

Identification and Related Records

【Name】
Xanthylium,9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, chloride (1:1)
【CAS Registry number】
81-88-9
【Synonyms】
Rhodamine BXL
Rhodamine BXP
Rhodamine Lake Red B
Rhodamine O
Rhodamine S (Russian)
Rhodamine, tetraethyl-
Sicilian Cerise Toner A 7127
Sumiplast Pink B
Symulex Magenta F
Symulex Rhodamine B Toner F
TakaokaRhodamine B
Calcozine Rhodamine BXP
Cerise Toner X1127
Chromatint Rhodamine B
D and C Red No. 19
C RedNo. 19
Diabasic Rhodamine B
Eriosin Rhodamine B
FD And C Red No. 19
Flexo Red 540
Hexacol Rhodamine BExtra
Ikada Rhodamine B
Japan Red No. 213
OP 312
Red No. 213
Rhodamine B
Rhodamine B Extra
Rhodamine B Extra M 310
Rhodamine BA
Rhodamine BAExport
11411 Red
ADC Rhodamine B
AizenRhodamine BH
Akiriku Rhodamine B
BasicRose Extract
Basonyl Red 540
Basonyl Red 545FL
C.I. Basic Violet 10
Calcozine Red BX
【EINECS(EC#)】
201-383-9
【Molecular Formula】
C28H31N2O3.Cl (Products with the same molecular formula)
【Molecular Weight】
479.02
【Inchi】
InChI=1/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H
【InChIKey】
PYWVYCXTNDRMGF-UHFFFAOYSA-N
【Canonical SMILES】
CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]
【MOL File】
81-88-9.mol

Chemical and Physical Properties

【Appearance】
red to violet powder
【Density】
1.31
【Melting Point】
210-211℃ (dec.)
【Flash Point】
12?°C
【Water】
SOLUBLE
【Solubilities】
Very soluble (soluble in alcohol) AU
【Color/Form】
GREEN CRYSTALS OR REDDISH-VIOLET POWDER; WATER SOLN WITH BLUISH-RED COLOR, DIL SOLN STRONGLY FLUORESCENT
LEAFLETS FROM DILUTE HYDROCHLORIC ACID
【Stability】
Stable. Incompatible with strong oxidizing agents.
【HS Code】
32041300
【Storage temp】
Store at RT.
【Spectral properties】
IR: 11293 (Sadtler Research Laboratories Prism Collection)
MASS: 5106 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
【Computed Properties】
Molecular Weight:479.01034 [g/mol]
Molecular Formula:C28H31ClN2O3
H-Bond Donor:1
H-Bond Acceptor:5
Rotatable Bond Count:7
Exact Mass:478.202321
MonoIsotopic Mass:478.202321
Topological Polar Surface Area:52.8
Heavy Atom Count:34
Formal Charge:0
Complexity:811
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R41;R68
【Safety Statements 】
S26;S36/37/39
【Safety】

Hazard Codes of Rhodamine B (CAS NO.81-88-9):?HarmfulXn,Xi,FlammableF
Risk Statements: 22-41-68-67-36-11
R22: Harmful if swallowed.?
R41: Risk of serious damage to the eyes.?
R68: Possible risk of irreversible effects.?
R67: Vapours may cause drowsiness and dizziness.?
R36: Irritating to eyes.?
R11: Highly flammable.
Safety Statements: 7-16-24/25-26-36/37/39?
S7: Keep container tightly closed.?
S16: Keep away from sources of ignition.?
S24/25: Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 2
?

【Skin, Eye, and Respiratory Irritations】
... INJURIOUS TO ... HUMAN EYE.
【Transport】
25kgs
【Other Preventative Measures】
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
【Protective Equipment and Clothing】
... INJURIOUS TO ... HUMAN EYE.
【Specification】

Stability: Stable at room temperature in closed containers under normal storage and handling conditions.
Storage:Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances
Handling:Wash thoroughly after handling. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
First Aid Measures:
Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation: Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin: Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
?

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

... IS PRODUCED COMMERCIALLY BY CONDENSING N,N-DIETHYL-3-AMINOPHENOL WITH PHTHALIC ANHYDRIDE, FOLLOWED BY TREATMENT WITH DILUTE HYDROCHLORIC ACID.
Reaction of diethylamine with fluorescin dichloride (3,6-dichlorofluoran) under pressure.
【Usage】

As dye, esp for paper, as reagent for antimony, bismuth, cobalt, niobium, gold, manganese, mercury, molybdenum, tantalum, thallium, tungsten, as biological stain.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
【Biomedical Effects and Toxicity】
... WAS METABOLIZED SIMILARLY IN DOGS, RATS & RABBITS, AS EVIDENCED BY CHROMATOGRAPHIC ANALYSIS OF THEIR URINE & FECAL EXTRACTS. CMPD WAS EXTENSIVELY ABSORBED FROM GI TRACT: OF 1% GIVEN IN DIET, ONLY 3-5% WAS RECOVERED UNCHANGED IN URINE & FECES.
RHODAMINE B EXHIBITS HIGH PLASMA PROTEIN BINDING.
INTENSITY OF DYE COLOR IN PANCREATIC JUICE OF DOGS DECR IN ORDER: BASIC FUCHSINE, ACRIDINE RED, NEW FUCHSINE, RHODAMINE B, PHENOL RED, RHODAMINE 6G. [HONG SS; YONSEI MED J 15 (2): 51 (1974)] PubMed Abstract
The adsorption equilibrium (as determined by Langmuir's or Freundlich's equations) of microbial suspensions containing Rhodamine B, and melting temperature of Rhodamine B-calf thymus DNA solution were determined. The adsorption constant of dye to cells for Rhodamine B was 6.86 cal/mol (adsorptive affinity in Langmuir's equation) and 2.86 (for the constant K in Freundlich's equation). Melting temperature values for Rhodamine B calf thymus DNA solution increased with dye concentration. [Ogawa T et al; Bull Environ Contam Toxicol 42 (3): 402-8 (1989)] PubMed Abstract

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
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Business Type:Manufacturer
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Telephone:86-574-89212210
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Telephone:86-311-66600578
Diamond member Hangzhou J&H Chemical Co., Ltd
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Business Type:Manufacturer
Telephone:86-571-87396430
Shanghai Forever Synthesis Co.,Ltd.
Country:ChinaChina
Business Type:Distributor/Wholesaler
Telephone:86-21-61124658
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Telephone:0086-531-58773055
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Telephone:86-27-85736489
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