Name | 1-nitropyrene |
Synonyms | CCRIS 455 NSC 81340 HSDB 6980 NITROPYRENE BRN 1882811 3-Nitropyrene 1-Nitropyrene 1-nitropyrene 4-nitropyrene Pyrene, 1-nitro- LABOTEST-BB LT00894548 1-Nitropyrene [Nitroarenes] 23264, 1-Nitropyrene (purity) 4-05-00-02471 (Beilstein Handbook Reference) Nitropyrene, Mono-, Di-, Tri- Tetra, isomers 1-Nitropyrene [Polycyclic aromatic compounds] 3-(prop-2-en-1-ylsulfanyl)-1H-1,2,4-triazol-5-amine |
CAS | 5522-43-0 |
EINECS | 226-868-2 |
InChI | InChI=1/C5H8N4S/c1-2-3-10-5-7-4(6)8-9-5/h2H,1,3H2,(H3,6,7,8,9) |
InChIKey | ALRLPDGCPYIVHP-UHFFFAOYSA-N |
Molecular Formula | C16H9NO2 |
Molar Mass | 247.25 |
Density | 1.1699 (rough estimate) |
Melting Point | 153-155 °C (lit.) |
Boling Point | 390.29°C (rough estimate) |
Flash Point | 176.5°C |
Solubility | Chloroform (Sparingly, Heated), Ethyl Acetate (Slightly, Heated) |
Vapor Presure | 1.28E-05mmHg at 25°C |
Appearance | neat |
Color | Yellow needles from MeCN |
BRN | 1882811 |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.5300 (estimate) |
Risk Codes | R40 - Limited evidence of a carcinogenic effect R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
Safety Description | S22 - Do not breathe dust. 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 the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. |
WGK Germany | 3 |
RTECS | UR2480000 |
TSCA | T |
HS Code | 29420000 |
Hazard Class | IRRITANT |
Toxicity | mmo-esc 3 mg/plate MUREAV 142,163,85 |
Reference Show more | 1. [IF=10.588] Rujia Chen et al."The plant streptolysin S (SLS)-associated gene B confers nitroaromatic tolerance and detoxification."J Hazard Mater. 2022 Jul;433:128779 |
(IARC) carcinogen classification | 2A (Vol. Sup 7, 46, 105) 2014 |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |