1,5-Dinitronaphthalene

HCID 11803CAS 27478-34-8

Grundinformationen

Standard-SMILES
O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12
InChIKey
ZUTCJXFCHHDFJS-UHFFFAOYSA-N
Summenformel
C10H6N2O4
Durchschnittliche Molmasse
218,17 g/mol
Monoisotopische Masse
218,03275667

Überblick

Yellowish white needles or light yellow fluffy solid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
1,5-Dinitronaphthalene
IUPAC
1,5-dinitronaphthalene
Englischer Name
1,5(or 1,8)-dinitronaphthalene
Summenformel
C10H6N2O4
Molmasse
218.16564

Namen und Synonyme

1,5-DINITRONAPHTHALENE605-71-0Naphthalene, 1,5-dinitro-DTXSID4025165UI2S14IW4TNSC-20593DTXCID505165CHEBI:50640RefChem:417284210-095-271607-49-3MFCD00003916
Weitere Namen anzeigen
1,5(Or 1,8)-dinitronaphthaleneNaphthalene, dinitro-CCRIS 6028EINECS 210-095-2NSC 20593UNII-UI2S14IW4TBRN 0527184Napththalene, 1,5-dinitro-

Datenbank-Bezeichner

CAS
27478-34-8、605-71-0、71607-49-3
PubChem CID
11803
DTXSID
DTXSID4025165
ChEMBL
CHEMBL167316
ChEBI
CHEBI:50640
UNII
UI2S14IW4T
EC Number
210-095-2、275-690-1
Nikkaji
J2.075C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
91,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
0
Schwere Atome
16

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.58
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling PointSublimes (NTP, 1992)
Melting Point421 to 423 °F (NTP, 1992)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (16.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 15-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23499

1,5-Dinitronaphthalene: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards · 1 Eintrag

SYMPTOMS: Symptoms of exposure to this compound may include nasal irritation, skin pigmentation, headache, dizziness, cyanosis, nausea, vomiting, anemia, insomnia, fatigue, weight loss, central nervous system depression, liver damage, toxic hepatitis, kidney degeneration and kidney damage. Other symptoms may include irritation of the skin, eyes, mucous membranes and upper respiratory tract.

Hazards Summary · 1 Eintrag

Potentially explosive; [Ullmann] Explosive; A skin, eye, mucous membrane, and upper respiratory tract irritant; Symptoms of exposure to this compound may include nasal irritation, skin pigmentation, headache, dizziness, cyanosis, nausea, vomiting, anemia, insomnia, fatigue, weight loss, central nervous system depression, liver damage, toxic hepatitis, kidney degeneration and kidney damage. [CAMEO] An irritant; [MSDSonline] See 2-Nitronaphthalene.

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Sicherheit und Schutzausrüstung

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First Aid · 1 Eintrag

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.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and 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 absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

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)

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as an intermediate in chemical production; [Ullmann]

Zugehörige Reaktionen

6

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