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CAS No.: | 36877-69-7 |
---|---|
Name: | Rhodamine B isothiocyanate |
Molecular Structure: | |
Formula: | C29H30ClN3O3S |
Molecular Weight: | 536.08 |
Synonyms: | 9-[2-Carboxy-5-isothiocyanatophenyl]-3,6-bis(diethylamino)xanthylium chloride; |
EINECS: | 253-248-9 |
Density: | 1.23g/cm3 |
Boiling Point: | 717.2°C at 760 mmHg |
Flash Point: | 387.6°C |
Appearance: | solid |
Hazard Symbols: | Xn |
Risk Codes: | R20/21/22;R36/37/38;R42 |
Safety: | S22;S26;S45 |
Transport Information: | UN 3335 |
PSA: | 101.14000 |
LogP: | 3.29930 |
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IUPAC Name: [9-(2-Carboxy-6-isothiocyanatophenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium chloride
Molecular Formula: C29H30ClN3O3S
Molecular Weight: 536.08 g/mol
Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=CC=C4N=C=S)C(=O)O.[Cl-]
EINECS: 253-248-9
Classification Code: Coloring Agents; Fluorescent dyes; Indicators and Reagents; Luminescent Agents
Stability: Stable, but may be sensitive to light or moisture. Store dark and dry. Incompatible with strong oxidizing agents.
H-Bond Donor: 1
H-Bond Acceptor: 6
Rotatable Bond Count: 8
Storage temperature: 2-8 °C
Molar Volume: 403.4 cm3
Polarizability: 57.54 10-24 cm3
Surface Tension: 45.1 dyne/cm
Density: 1.23 g/cm3
Flash Point: 387.6 °C
Enthalpy of Vaporization: 104.81 kJ/mol
Boiling Point: 717.2 °C at 760 mmHg
Vapour Pressure of Rhodamine B isothiocyanate (CAS NO.36877-69-7): 2.02E-20 mmHg at 25 °C
Hazard Codes: Xn
Risk Statements: 20/21/22-36/37/38-42
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
R42: May cause sensitization by inhalation.
Safety Statements: 22-26-45
S22: Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3335
WGK Germany of Rhodamine B isothiocyanate (CAS NO.36877-69-7): 3
Rhodamine B isothiocyanate (CAS NO.36877-69-7), its Synonyms are Rhodamine isothiocyanate ; 9-(2-Carboxy-5(or 6)-isothiocyanatophenyl)-3,6-bis(diethylamino)xanthylium chloride ; Xanthylium, 9-(2-carboxy-5(or 6)-isothiocyanatophenyl)-3,6-bis(diethylamino)-, chloride ; Xanthylium, 9-(2-carboxy-5(or 6)-isothiocyanatophenyl)-3,6-bis(diethylamino)-, chloride (1:1) . It is solid.