205-99-2

Name BENZO(B)FLUORANTHENE
CAS 205-99-2
EINECS(EC#) 205-911-9
Molecular Formula C20H12
MDL Number MFCD00010582
Molecular Weight 252.31
MOL File 205-99-2.mol

Chemical Properties

Appearance Benzo(b)fluoranthene is a colorless, needleshaped solid.
Melting point  163-165 °C(lit.)
Boiling point  481°C(lit.)
density  1.1549 (estimate)
vapor pressure  5 x 10-7 mmHg at 20 °C (U.S. EPA, 1982)
refractive index  1.8390 (estimate)
Fp  -18 °C
storage temp.  APPROX 4°C
solubility  Soluble in most solvents (U.S. EPA, 1985)
form  neat
pka >15 (Christensen et al., 1975)
color  White to Yellow to Green
Stability: Stable. Incompatible with strong oxidizing agents.
biological source rabbit
Water Solubility  1.2 μg/L at 25 °C (U.S. EPA, 1980a)
BRN  1872553
Henry's Law Constant 2.47, 5.03, 11.74, 14.90, 20.53, and 36.52 at 10.0, 20.0, 35.0, 40.1, 45.0, and 55.0 °C, respectively (wetted-wall column, ten Hulscher et al., 1992)
InChI 1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H
InChIKey FTOVXSOBNPWTSH-UHFFFAOYSA-N
SMILES c1ccc-2c(c1)-c3cccc4c3c-2cc5ccccc45
CAS DataBase Reference 205-99-2(CAS DataBase Reference)
IARC 2B (Vol. 92) 2010
EPA Substance Registry System Benzo[b]fluoranthene (205-99-2)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)Environment (GHS09)
GHS08,GHS09
Signal word  Danger
Hazard statements  H350-H410
Precautionary statements  P202-P273-P280-P308+P313-P391-P405
Hazard Codes  T,N,Xn,F,Xi
Risk Statements 
R45:May cause cancer.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R67:Vapors may cause drowsiness and dizziness.
R65:Harmful: May cause lung damage if swallowed.
R38:Irritating to the skin.
R11:Highly Flammable.
R36:Irritating to the eyes.
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
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 .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S16:Keep away from sources of ignition-No smoking .
S9:Keep container in a well-ventilated place .
S36/37:Wear suitable protective clothing and gloves .
S7:Keep container tightly closed .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  CU1400000
HS Code  2902.90.9000
HazardClass  6.1(b)
PackingGroup  III
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Carc. 1B
Safety Profile
Confirmed carcinogen with experimental carcinogenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazardous Substances Data 205-99-2(Hazardous Substances Data)
Toxicity
LC50 (21-d) for Folsomia fimetaria >3,600 mg/kg (Sverdrup et al., 2002).

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