9-Nitroanthracene

HCID 11767

Basic information

CAS
602-60-8
Standard SMILES
O=[N+]([O-])c1c2ccccc2cc2ccccc12
InChIKey
LSIKFJXEYJIZNB-UHFFFAOYSA-N
Molecular formula
C14H9NO2
Average molar mass
223.23 g/mol
Monoisotopic mass
223.06332853

Names & identifiers

Preferred name
9-Nitroanthracene
IUPAC
9-nitroanthracene
English name
9-Nitroanthracene
Molecular formula
C14H9NO2
Molecular weight
223.23

Names & synonyms

9-NITROANTHRACENE602-60-8Anthracene, 9-nitro-5-NitroanthraceneDTXSID5025730JZ1TB3N57PNSC-47175DTXCID805730RefChem:549481210-021-99-Nitro-anthraceneMFCD00001248
Show more names
9-NA9-nitro-anthracenEmodin Impurity 19Anthracene,9-nitro-9-Nitroanthracene>9-Nitroanthracene,97%LABOTEST-BB LT02096509
9-NITROANTHRACENE (purity)9-NITROANTHRACENE [IARC]NCGC00091602-02C194709-Nitroanthracene, matrix substance for MALDI-MS, >=98.5% (HPLC)CCRIS 4679EINECS 210-021-9NSC 47175

Database identifiers

CAS
602-60-8
PubChem CID
11767
DTXSID
DTXSID5025730
ChEMBL
CHEMBL166112
ChEBI
CHEBI:82501
UNII
JZ1TB3N57P
EC Number
210-021-9
Nikkaji
J2.731F

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
17

Experimental & physicochemical properties

Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Boiling Point527 °F at 17 mmHg (NTP, 1992)
Melting Point286 to 289 °F (NTP, 1992)
Vapor Pressure0.00000135 [mmHg]
Physical Description · 2 items

9-nitroanthracene is a yellow solid. (NTP, 1992)

Yellow solid; [CAMEO]

Kovats Retention Index · 2 items

2046;357.42;365.7

2122.5;356.5;357.42;356.59;356.62;356.69;356.95;357.11;357.42

Physicochemical properties

Melting point
141 · 141-144 °C(lit.)
Boiling point
275 °C · 275°C 17mm
Density
1.1814 · 1.1814 (rough estimate)
refractive index
1.47 · 1.4700 (estimate)
Flash point
275 °C/17mm · 275°C/17mm
storage temp.
2 · Sealed in dry,2-8°C

Safety & regulation

Hazard information

Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound may cause skin irritation on contact. (NTP, 1992)
Hazards SummaryA skin irritant; [CAMEO] A skin and respiratory tract irritant; Harmful by ingestion; [MSDSonline] It is mutagenic to Salmonella typhimurium. [IARC] See 1-Nitropyrene.
Reactive GroupHydrocarbons, Aromatic;Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile · 1 item

Aromatic nitro compounds, such as 9-NITROANTHRACENE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. This compound may be sensitive to prolonged exposure to light. (NTP, 1992)

Air and Water ReactionsInsoluble in water.

Safety & protection

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should protect this material from exposure to light, and store it in a refrigerator. (NTP, 1992)

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxicology

Carcinogen Classification · 5 items

9-Nitroanthracene

Group 3: Not classifiable as to its carcinogenicity to humans

Volume 33: (1984) Polynuclear Aromatic Compounds, Part 2: Carbon Blacks, Mineral Oils and Some Nitroarenes;Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)

1987

1987

Safety data

wgk
3
rtecs
CB0715000
hs_code
2904.20.4500
safety_code
22-24/25
Storage Class
11 - Combustible Solids

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Sources include particulates in diesel exhaust, polluted air, and carbon black produced in the past; No commercial production other than for research; [IARC]

Synthetic Polymer MALDI Matrix Compounds

Applications · 2 items

Uses9-nitroanthracene is a precursor of anthraquinones, which are often used as photosensitizers used in photodynamic therapy (PDT). Anthraquinone is also an important precursor for drugs such as Emodin (E523000), Aloe-emodin (A575400), and Rufgallol. 9-nitroanthracene has potential application in cancer therapy.

General DescriptionYellow solid.

Upstream & downstream products

Downstream products

Suppliers72 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海铂之泉科技有限公司13681726990 13681726990 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Additional notes

DefinitionChEBI: 9-Nitroanthracene is a member of anthracenes.

Related reactions

12 records

Compound notes

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