1-Chloro-2,4-dinitronaphthalene
Completing data — refresh the page later to see the latest
Basic information
- CAS
2401-85-6- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1Cl- InChIKey
SKKUAUZTZZRYPW-UHFFFAOYSA-N- Molecular formula
- C10H5ClN2O4
- Average molar mass
- 252.61 g/mol
- Monoisotopic mass
- 251.9937843
Names & identifiers
- Preferred name
- 1-Chloro-2,4-dinitronaphthalene
- IUPAC
- 1-chloro-2,4-dinitronaphthalene
- English name
- 1-Chloro-2,4-dinitronaphthalene
- Molecular formula
- C10H5ClN2O4
- Molecular weight
- 252.61
Names & synonyms
1-CHLORO-2,4-DINITRONAPHTHALENENaphthalene, 1-chloro-2,4-dinitro-Chlorodinitronaphthalene2,4-Dinitro-1-naphthyl chloride2,4-Dinitro-1-chloro-naphthaleneHSDB 5530UNII-8T00EW178RBRN 2219453AI3-525038T00EW178R1-Chloro-2,4-dinitrophthaleneDTXSID1062382
Show more names
chlorodinitronaphthalenes
4-05-00-01681 (Beilstein Handbook Reference)2,4-DINITROCHLORONAPHTHALENE2,4-DINITRO-1-CHLORONAPHTHALENE2,4-DINITRO-1-CHLORO-NAPHTHALENE [HSDB]RefChem:753322,4Dinitro1chloronaphthalene2,4Dinitro1naphthyl chlorideNaphthalene, 1chloro2,4dinitro
Database identifiers
- CAS
2401-85-6- PubChem CID
- 16987
- DTXSID
DTXSID1062382- UNII
- 8T00EW178R
- Nikkaji
- J53.713F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
Color/FormYellow needles
DecompositionWhen heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.
Melting Point146.5 °C
Physical DescriptionYellow solid; [HSDB]
Physicochemical properties
- Melting point
- 146.5 °C · 146.5°C
- Boiling point
- 404.3 · 404.3±30.0 °C(Predicted)
- Density
- 1.6226 · 1.6226 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- Water Solubility
- 1 mg/L · 1mg/L(25 ºC)
- FDA UNII
- 8 T00EW178R · 8T00EW178R
- EPA Substance Registry System
- 1 · Naphthalene, 1-chloro-2,4-dinitro- (2401-85-6)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety & protection
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Toxicology
Non-Human Toxicity Excerpts
/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Carcinogenicity of 35 compounds was evaluated in young female rats 9 months after the oral administration of 10 equal doses at 3-day intervals at the maximally tolerated level. The following compounds caused breast cancer: 2-anthramine, benzidine, 7,12-dimethylbenz(a)anthracene... a weaker response was elicited by 1-chloro-2,4-dinitronaphthalene.
/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Cancer of the breast was observed in rats administered a single oral maximum tolerated dose of 1-chloro-2,4-dinitronaphthalene. Carcinoma of the lung was seen in 1 rat fed dinitrochloronaphthalene.
Antidote and Emergency Treatment
Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Naphthalene and Related Compounds/
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNaphthalene, 1-chloro-2,4-dinitro-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
5 records
Compound notes
Loading…