CAS No.10510-54-0,Cresyl violet acetate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10510-54-0
Name:	Cresyl violet acetate

Formula:	C₁₆H₁₂N₃O^.C₂H₃O₂
Molecular Weight:	321.33
Synonyms:	3,7-Diaminobenzo[b]phenoxazinylium acetate;5H-benzo[a]phenoxazin-9-amine, 5-imino-, acetate (1:1);9-Amino-5H-benzo[a]phenoxazin-5-iminium acetate;
EINECS:	234-043-3
Melting Point:	140-143 °C(lit.)
Boiling Point:	468.3 °C at 760 mmHg
Flash Point:	237 °C
Solubility:	Soluble in water and ethanol. Insoluble in acetone.
Appearance:	green crystals
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	113.20000
LogP:	3.91930

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Specification

The CAS register number of Cresyl violet acetate is 10510-54-0. It also can be called as 3,7-Diaminobenzo[b]phenoxazinylium acetate and the IUPAC name about this chemical is acetic acid; 5-iminobenzo[a]phenoxazin-9-amine. The molecular formula about this chemical is C₁₆H₁₂N₃O^.C₂H₃O₂and the molecular weight is 321.33.

Physical properties about Cresyl violet acetate are: (1)ACD/LogP: 0.58; (2)ACD/LogD (pH 5.5): 0.57; (3)ACD/LogD (pH 7.4): 0.58; (4)ACD/BCF (pH 5.5): 1.59; (5)ACD/BCF (pH 7.4): 1.62; (6)ACD/KOC (pH 5.5): 48.26; (7)ACD/KOC (pH 7.4): 49.1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 27.84Å²; (12)Flash Point: 237 °C; (13)Enthalpy of Vaporization: 73.04 kJ/mol; (14)Boiling Point: 468.3 °C at 760 mmHg; (15)Vapour Pressure: 6.07E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)C.N=1c4c(OC=3C=1c2ccccc2\C(=[NH2+])\C=3)cc(cc4)N
(2)InChI: InChI=1/C16H11N3O.C2H4O2/c17-9-5-6-13-14(7-9)20-15-8-12(18)10-3-1-2-4-11(10)16(15)19-13;1-2(3)4/h1-8,18H,17H2;1H3,(H,3,4)
(3)InChIKey: UEWSHLFAYRXNHZ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C16H11N3O.C2H4O2/c17-9-5-6-13-14(7-9)20-15-8-12(18)10-3-1-2-4-11(10)16(15)19-13;1-2(3)4/h1-8,18H,17H2;1H3,(H,3,4)
(5)Std. InChIKey: UEWSHLFAYRXNHZ-UHFFFAOYSA-N