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| CAS No.: | 218-01-9 |
|---|---|
| Name: | Chrysene |
| Article Data: | 176 |
| Cas Database | |
| Molecular Structure: | |
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|
|
| Formula: | C18H12 |
| Molecular Weight: | 228.293 |
| Synonyms: | 1,2-Benzophenanthrene;1,2-Benzphenanthrene;Benzo[a]phenanthrene;NSC 6175; |
| EINECS: | 205-923-4 |
| Density: | 1.19 g/cm3 |
| Melting Point: | 252-254 °C(lit.) |
| Boiling Point: | 447.998 °C at 760 mmHg |
| Flash Point: | 209.141 °C |
| Solubility: | insoluble in water |
| Appearance: | crystalline powder |
| Hazard Symbols: |
 T,  N,  Xn,  F
|
| Risk Codes: | 45-50/53-68-40-67-66-36-11 |
| Safety: | 53-45-60-61-36/37-26 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 0.00000 |
| LogP: | 5.14620 |
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Consensus Reports
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 , 1983,p. 247.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 , 1983,p. 247.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Standards and Recommendations
OSHA PEL: 0.2 mg/m3
ACGIH TLV: Animal Carcinogen
DFG MAK: Animal Carcinogen, Suspected Human Carcinogen
NIOSH REL: (Chrysene) To be controlled as a carcinogen
Analytical Methods
For occupational chemical analysis use OSHA: #ID-58 or NIOSH: Polynuclear Aromatic Hydrocarbons (HPLC), 5506; (GC), 5515.
Specification
Chrysene, with the CAS NO.218-01-9, has the synonyms of 1,2-Benzophenanthrene; 1,2-Benzphenanthrene; Benz(a)phenanthrene; Benzo[a]Phenanthrenee; Rcra waste number U050. Chrysene is a polycyclic aromatic hydrocarbon (PAH) with the molecular formula C18H12 that consists of four fused benzene rings. It is also found in creosote, a chemical used to preserve wood. Chrysene is used in the manufacture of some dyes.
Physical properties about Chrysene are: (1)ACD/LogP: 5.729; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.73; (4)ACD/LogD (pH 7.4): 5.73; (5)ACD/BCF (pH 5.5): 13312.29; (6)ACD/BCF (pH 7.4): 13312.29; (7)ACD/KOC (pH 5.5): 31169.38; (8)ACD/KOC (pH 7.4): 31169.38; (9)Index of Refraction: 1.771; (10)Molar Refractivity: 79.78 cm3; (11)Molar Volume: 191.781 cm3; (12)Polarizability: 31.627 10-24cm3; (13)Surface Tension: 53.5410003662109 dyne/cm; (14)Density: 1.19 g/cm3; (15)Flash Point: 209.141 °C; (16)Enthalpy of Vaporization: 67.926 kJ/mol; (17)Boiling Point: 447.998 °C at 760 mmHg
When you are using Chrysene, please be cautious about it as the following:
1. Avoid exposure - obtain special instruction before use;
2. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
3. This material and/or its container must be disposed of as hazardous waste;
4. Avoid release to the environment. Refer to special instructions safety data sheet;
5. Wear suitable protective clothing and gloves;
6. 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)InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H;
(2)InChIKey=WDECIBYCCFPHNR-UHFFFAOYSA-N;
(3)Smilesc12c(c3c(cccc3)cc2)ccc2c1cccc2;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 320mg/kg (320mg/kg) | JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979. |