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193-39-5

193-39-5 Structure

193-39-5 Structure
IdentificationMore
[Name]

INDENO(1,2,3-C,D)PYRENE
[CAS]

193-39-5
[Synonyms]

2.3-O-PHENYLENEPYRENE
INDENO(1,2,3-C,D)PYRENE
O-PHENYLENEPYRENE
1,10-(1,2-Phenylene)pyrene
1,10-(o-Phenylene)pyrene
1,10-(ortho-Phenylene)pyrene
2,3-Phenylenepyrene
ideno(1,2,3-cd)pyrene
Indenopyrene
indenopyrene(non-specificname)
IP
Rcra waste number U137
rcrawastenumberu137
INDENO (1.2.3-C-D) PYRENE (PURITY)
INDENO(1,2,3-CD)PYRENE, 10MG, NEAT
INDENO(1,2,3-CD)PYRENE, 1X1ML, MEOH, 200 UG/ML
INDENO[C,D]PYRENE
INDENOL(1,2,3-CD)PYRENE
INDENO(1,2,3)-PYRENE
Indeno[1,2,3-c,d]pyrene, unlabeled
[EINECS(EC#)]

205-893-2
[Molecular Formula]

C22H12
[MDL Number]

MFCD00152577
[Molecular Weight]

276.33
[MOL File]

193-39-5.mol
Chemical PropertiesBack Directory
[Appearance]

solid
[Melting point ]

164℃
[Boiling point ]

536°C
[density ]

1.1847 (estimate)
[vapor pressure ]

1.01 x 10-10 mmHg at 25 °C (McVeety and Hites, 1988)
[refractive index ]

1.9800 (estimate)
[Fp ]

-18 °C
[storage temp. ]

APPROX 4°C
[solubility ]

Soluble in most solvents (U.S. EPA, 1985) including low molecular weight liquid hydrocarbons such as benzene, ethylene, and toluene.
[form ]

Solid
[pka]

>15 (Christensen et al., 1975)
[color ]

Light Yellow to Very Dark Orange
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[biological source]

human
[Water Solubility ]

62 μg/L (Sims et al., 1988)
[BRN ]

1879312
[Henry's Law Constant]

(x 10-7 atm?m3/mol): 1.78, 2.86, 5.63, 6.02, 7.60, and 10.36 at 10.0, 20.0, 35.0, 40.1, 45.0, and 55.0 °C, respectively (wetted-wall column, ten Hulscher et al., 1992)
[Major Application]

environmental
[InChI]

1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
[InChIKey]

SXQBHARYMNFBPS-UHFFFAOYSA-N
[SMILES]

c1ccc-2c(c1)-c3ccc4ccc5cccc6cc-2c3c4c56
[CAS DataBase Reference]

193-39-5(CAS DataBase Reference)
[IARC]

2B (Vol. Sup 7, 92) 2010
[EPA Substance Registry System]

Indeno[1,2,3-cd]pyrene (193-39-5)
Safety DataBack Directory
[Hazard Codes ]

F,Xn,N,T
[Risk Statements ]

R45:May cause cancer.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R60:May impair fertility.
R61:May cause harm to the unborn child.
R67:Vapors may cause drowsiness and dizziness.
R65:Harmful: May cause lung damage if swallowed.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R38:Irritating to the skin.
R11:Highly Flammable.
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 .
R40:Limited evidence of a carcinogenic effect.
[Safety Statements ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S53:Avoid exposure-obtain special instruction before use .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S60:This material and/or its container must be disposed of as hazardous waste .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

NK9300000
[TSCA ]

TSCA listed
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

2902900000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Carc. 2
[Hazardous Substances Data]

193-39-5(Hazardous Substances Data)
[Toxicity]

LC50 (21-d) for Folsomia fimetaria >910 mg/kg (Sverdrup et al., 2002).
Hazard InformationBack Directory
[General Description]

Yellow crystals.
[Reactivity Profile]

Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as INDENO(1,2,3-CD)PYRENE(193-39-5), and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction.
[Air & Water Reactions]

Insoluble in water.
[Hazard]

Possible carcinogen.
[Health Hazard]

ACUTE/CHRONIC HAZARDS: Toxic.
[Fire Hazard]

Some may burn but none ignite readily. Containers may explode when heated. Some may be transported hot.
[Chemical Properties]

solid
[Uses]

A component of polynuclear aromatic hydrocarbons, also known as polycyclic aromatic hydrocarbons, usually bound to small particulate matter present in urban air, industrial and natural combustion emissions, and cigarette smoke.
[Uses]

Indeno[1,2,3-cd]pyrene is a polycyclic aromatic hydrocarbon (PAH) and a known carcinogen. Indeno[ 1,2,3-cd]pyrene is listed as a priority pollutant by the Environmental Protection Agency (EPA). Indeno [1,2,3-cd]pyrene has been detected in automobile engine exhaust, charcoal broiled foods, ground water, river sediments as well as cigarette smoke condensate.
[Uses]

Indeno[1,2,3-cd]pyrene is a polycyclic aromatic hydrocarbon (PAH) and a known carcinogen. Indeno[ 1,2,3-cd]pyrene is listed as a priority pollutant by the Environmental Protection Agency (EPA). Indeno[1,2,3-cd]pyrene has been detected in automobile engine exhaust, charcoal broiled foods, ground water, river sediments as well as cigarette smoke condensate.
[Definition]

ChEBI: Indeno[1,2,3-cd]pyrene is a member of pyrenes.
[Carcinogenicity]

The IARC has determined that there is sufficient evidence for the carcinogenicity of IP in animals.4 No human data are available because exposures typically involve chemical mixtures containing numerous polynuclear aromatic hydrocarbons. IP is considered possibly carcinogenic to humans.
[Source]

No MCLGs or MCLs have been proposed (U.S. EPA, 2000).
Detected in 8 diesel fuels at concentrations ranging from 0.056 to 0.85 mg/L with a mean value of 0.143 mg/L (Westerholm and Li, 1994). Indeno[1,2,3-cd]pyrene was also reported in gasoline (59 μg/L), fresh motor oil (30 μg/L), and used motor oil (34.0 to 83.2 mg/kg) (quoted, Verschueren, 1983). Also detected in asphalt fumes at an average concentration of 5.92 ng/m3 (Wang et al., 2001).
The concentration of indeno[1,2,3-cd]pyrene in coal tar and the maximum concentration reported in groundwater at a mid-Atlantic coal tar site were 1,200 and 0.002 mg/L, respectively (Mackay and Gschwend, 2001). Based on laboratory analysis of 7 coal tar samples, indeno[1,2,3- cd]pyrene concentrations ranged from ND to 1,400 ppm (EPRI, 1990). Identified in hightemperature coal tar pitches used in roofing operations at concentrations ranging from ND to 2,460 mg/kg (Malaiyandi et al., 1982).
Nine commercially available creosote samples contained indeno[1,2,3-cd]pyrene at concentrations ranging from 1 to 40 mg/kg (Kohler et al., 2000). Schauer et al. (2001) measured organic compound emission rates for volatile organic compounds, gas-phase semi-volatile organic compounds, and particle phase organic compounds from the residential (fireplace) combustion of pine, oak, and eucalyptus. The particle-phase emission rates of indeno[1,2,3-cd]pyrene were 0.518 mg/kg of pine burned and 0.168 mg/kg of eucalyptus burned.
Particle-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 0.436 and 92.0 μg/km, respectively (Schauer et al., 2002).
[Environmental Fate]

Chemical/Physical. Indeno[1,2,3-cd] will not hydrolyze (Kollig, 1993).
[Toxics Screening Level]

The initial risk screening level and secondary risk screening level (SRSL) for benzo(a)pyrene (B(a)P) are 6E-4 μg/m3 and 6E-3 μg/m3, respectively. The IRSL and SRSL were derived from the inhalation unit risk (IUR) factor for B(a)P of 1.76E-3 per μg/m3 (1.1E-3 per μg/m3 multiplied by an age-dependent adjustment factor or ADAF of 1.6).
Spectrum DetailBack Directory
[Spectrum Detail]

INDENO(1,2,3-C,D)PYRENE(193-39-5)1HNMR
INDENO(1,2,3-C,D)PYRENE(193-39-5)13CNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

193-39-5(sigmaaldrich)
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