56-49-5

Name 3-METHYLCHOLANTHRENE
CAS 56-49-5
EINECS(EC#) 200-276-4
Molecular Formula C21H16
MDL Number MFCD00003704
Molecular Weight 268.35
MOL File 56-49-5.mol

Chemical Properties

Appearance The term “coal tar products,” as used by NIOSH, includes coal tar and two of the fractionation products of coal tar, creosote and coal tar pitch, derived from the carbonization of bituminous coal. Coal tar, coal tar pitch, and creosote (coal tar creosote 8001-58-9) derived from bituminous coal often contain identifiable components which by themselves are carcinogenic, such as benzo(a) pyrene, benzanthracene, chrysene, and phenanthrene. Other chemicals from coal tar products, such as anthracene, carbazole, fluoranthene, and pyrene may also cause cancer,but these causal relationships have not been adequately documented. Also, the research chemical methylcholanthrene (CAS: 56-49-5), a powerful carcinogen, fits this category. Coal tar pitch is a black viscous liquid. Aromatic solvent odor. Boiling point =>260°C; specific gravity (H2O:1) = 1.07-108; freezing/melting point = 250-°180C;flash point = 207°C (coal tar pitch); 74C (creosote oil);autoignition temperature =>510°C. Insoluble in water.Coal tar creosote (8001-58-9, crosote) is an black oily,tar-like substance. Pungent odor
Melting point  178-180 °C (lit.)
Boiling point  280 °C/80 mmHg (lit.)
density  1.28 g/cm3 (20℃)
refractive index  1.4664 (estimate)
Fp  -5 °C
storage temp.  2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly)
form  neat
color  Yellow to Dark Yellow
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
Water Solubility  2.9ug/L(25 ºC)
Usage A carcinogen
Merck  13,6072
BRN  1913890
Major Application environmental
InChI 1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3
InChIKey PPQNQXQZIWHJRB-UHFFFAOYSA-N
SMILES Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25
CAS DataBase Reference 56-49-5(CAS DataBase Reference)
EPA Substance Registry System 3-Methylcholanthrene (56-49-5)

Safety Data

Symbol(GHS)  Health Hazard (GHS08)
GHS08
Signal word  Danger
Hazard statements  H350-H413
Precautionary statements  P201-P273-P308+P313
Hazard Codes  T,Xn,F
Risk Statements 
R45:May cause cancer.
R36:Irritating to the eyes.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
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 .
RIDADR  2811
WGK Germany  3
RTECS  FZ3675000
TSCA  TSCA listed
HazardClass  6.1(b)
PackingGroup  III
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Safety Profile
Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Poison by intravenous and intraperitoneal routes. Experimental teratogenic and reproductive effects. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazardous Substances Data 56-49-5(Hazardous Substances Data)

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