8048-52-0

Name ACRIFLAVINE
CAS 8048-52-0
EINECS(EC#) 999-999-2
Molecular Formula C27H25ClN6
MDL Number MFCD00064307
Molecular Weight 468.98
MOL File 8048-52-0.mol
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Chemical Properties

Appearance deep orange to brownish-red powder
Melting point  179-181 °C
Boiling point  612.69°C (rough estimate)
density  1.0933 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  Store at -20°C
solubility  H2O: soluble0.33g/mL (lit.)(lit.)
form  Powder
color  Deep orange to brownish-red
Water Solubility  H2O: 0.33g/mL (lit.)(lit.)
Merck  123
InChI 1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H
InChIKey PEJLNXHANOHNSU-UHFFFAOYSA-N
SMILES C12C=C(N)C=CC1=CC1=CC=C(N)C=C1[N+]=2C.C12C=C(C=CC1=CC1=CC=C(N)C=C1N=2)N.[Cl-]
CAS DataBase Reference 8048-52-0(CAS DataBase Reference)
EPA Substance Registry System 8048-52-0(EPA Substance)

Safety Data

Hazard Codes  Xn,N
Risk Statements 
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
S29:Do not empty into drains .
RIDADR  UN 3077 9/PG 3
WGK Germany  3
RTECS  AR9660000
HS Code  29339900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Safety Profile
Poison by subcutaneous route. Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. A topical antiseptic used in the treatment of gonorrhea. When heated to decomposition it emits very toxic fumes of NOx and Cl-. See also 3,6-DIAMINO-10 METHYLACRIDINIUM CHLORIDE.

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