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Substance Name: Phenanthrene
RN: 85-01-8
UNII: 448J8E5BST
InChIKey: YNPNZTXNASCQKK-UHFFFAOYSA-N
Molecular Formula
- C14-H10
Molecular Weight
- 178.233
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Mutation Data
- Tumor Data
Superlist Classification Codes
- 2007 CERCLA Priority List, Rank: 246
- 2011 CERCLA Priority List, Rank: 246
- Overall Carcinogenic Evaluation: Group 3
- Reportable Quantity (RQ) = 5000 lb
- TWA (0.2 ppm);
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Names and Synonyms
Name of Substance
- Phenanthrene
Synonyms
- AI3-00790
- CCRIS 1233
- EINECS 201-581-5
- HSDB 2166
- NSC 26256
- Phenanthren
- Phenanthren [German]
- Phenanthrin
- Ravatite
- UNII-448J8E5BST
Systematic Names
- Phenanthrene
- Phenanthrene, pure
Superlist Names
- Coal tar pitch volatiles: phenanthrene
- Phenanthrene
Registry Numbers
CAS Registry Number
- 85-01-8
FDA UNII
- 448J8E5BST
System Generated Number
- 0000085018
Structure Descriptors
InChI
1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10HInChIKey
YNPNZTXNASCQKK-UHFFFAOYSA-NSmiles
c12c3c(ccc1cccc2)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 700mg/kg (700mg/kg) | JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979. | |
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00190, | |
| mouse | LD50 | oral | 700mg/kg (700mg/kg) | Hygiene and Sanitation Vol. 29(6), Pg. 19, 1964. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 99.2 | deg C | EXP | |
| Boiling Point | 340 | deg C | EXP | |
| log P (octanol-water) | 4.46 | (none) | EXP | |
| Water Solubility | 1.15 | mg/L | 25 | EXP |
| Vapor Pressure | 1.21E-04 | mm Hg | 25 | EXP |
| Henry's Law Constant | 4.23E-05 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 1.30E-11 | cm3/molecule-sec | 23 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.