56-57-5
Product Name:
4-NITROQUINOLINE N-OXIDE
Formula:
C9H6N2O3
Synonyms:
4-Nitroquinoline 1-oxide;4-NQO
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Yellowish-brown plates or needles or yellow solid. (NTP, 1992) |
---|---|
Color/Form | YELLOW NEEDLES OR PLATES FROM ACETONE |
Melting Point | 309 °F (NTP, 1992) |
Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
Vapor Pressure | 0.0000026 [mmHg] |
Other Experimental Properties | LOW DEGREE OF ELECTROPHILIC REACTIVITY; NITRO GROUP CAN BE REPLACED BY HALOGENS, ALKOXYL, ARYLOXYL, MERCAPTO, & AMINO ACIDS. |
Chemical Classes | Other Uses -> Biochemical Research |
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Health Hazard GHS08 |
GHS Hazard Statements |
H350:Carcinogenicity |
Precautionary Statement Codes |
P201:Obtain special instructions before use. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
Molecular Weight | 190.16 g/mol |
---|---|
XLogP3 | 1.1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 0 |
Exact Mass | 190.03784206 g/mol |
Monoisotopic Mass | 190.03784206 g/mol |
Topological Polar Surface Area | 71.3 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 229 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Yellowish-brown plates or needles or yellow solid. (NTP, 1992)