CAS 27478-34-8 1,5-Dinitronaphthalene (HCID 11803)

Substructure search Find similar structures

Basic information

CAS: 27478-34-8
Standard SMILES: O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12
InChIKey: ZUTCJXFCHHDFJS-UHFFFAOYSA-N
Molecular formula: C10H6N2O4
Average molar mass: 218.17 g/mol
Monoisotopic mass: 218.03275667

Overview

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

Names & identifiers

Preferred name: 1,5-Dinitronaphthalene
IUPAC: 1,5-dinitronaphthalene
English name: 1,5(or 1,8)-dinitronaphthalene
Molecular formula: C10H6N2O4
Molecular weight: 218.16564

Names & synonyms

1,5-DINITRONAPHTHALENE605-71-0Naphthalene, 1,5-dinitro-DTXSID4025165UI2S14IW4TNSC-20593DTXCID505165CHEBI:50640RefChem:417284210-095-271607-49-3MFCD00003916

Show more names

1,5(Or 1,8)-dinitronaphthaleneNaphthalene, dinitro-CCRIS 6028EINECS 210-095-2NSC 20593UNII-UI2S14IW4TBRN 0527184Napththalene, 1,5-dinitro-

Database identifiers

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

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 91.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 266

Experimental & physicochemical properties

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)

Safety & regulation

GHS classification

GHS Classification · 5 items

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

Hazard information

Regulatory Information · 2 items

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 item

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 item

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.