Basic information
- Name:
Cresyl violet acetate
- CAS No.:
10510-54-0
- Molecular Structure:
- 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
- Appearance:
- green crystals
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 37/39-26 Details
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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.C2H3O2 and 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