|
|
|
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);
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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
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
c1ccc2c(c1)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.