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218-01-9

Basic Information
CAS No.: 218-01-9
Name: Chrysene
Molecular Structure:
Molecular Structure of 218-01-9 (Chrysene)
Formula: C18H12
Molecular Weight: 228.30
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: ToxicT, DangerousN, HarmfulXn, FlammableF
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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  • Casno:

    218-01-9

    Lower Price Chrysene

    Min.Order: 1 Kilogram

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    Product name: Chrysene CAS No.: 218-01-9 Molecule Formula:C18H12 Molecule Weight:228.29 Purity: 98.0% Package: 25kg/bag Description:White or yellow green crystalline powder Manufacture Standards:Enterprise Standard

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  • Casno:

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    Chrysene

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  • ChryseneCAS NO.: 218-01-9

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  • Casno:

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    Chrysene

    Min.Order: 1 Kilogram

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  • 218-01-9

  • Casno:

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    218-01-9

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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.