1,5-Dinitronaphthalene

HCID 11803CAS 27478-34-8

基本情報

標準SMILES
O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12
InChIKey
ZUTCJXFCHHDFJS-UHFFFAOYSA-N
分子式
C10H6N2O4
平均分子量
218.17 g/mol
単同位体質量
218.03275667

概要

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

名称と識別子

優先名称
1,5-Dinitronaphthalene
IUPAC
1,5-dinitronaphthalene
英語名
1,5(or 1,8)-dinitronaphthalene
分子式
C10H6N2O4
分子量
218.16564

名称と別名

1,5-DINITRONAPHTHALENE605-71-0Naphthalene, 1,5-dinitro-DTXSID4025165UI2S14IW4TNSC-20593DTXCID505165CHEBI:50640RefChem:417284210-095-271607-49-3MFCD00003916
名称をさらに表示
1,5(Or 1,8)-dinitronaphthaleneNaphthalene, dinitro-CCRIS 6028EINECS 210-095-2NSC 20593UNII-UI2S14IW4TBRN 0527184Napththalene, 1,5-dinitro-

データベース識別子

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

物性

構造計算による物性

XLogP
2.6
極性表面積
91.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
0
重原子数
16

実験および物理化学的性質

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)

安全と法規制

GHS分類

GHS Classification · 5 件

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

危険有害性情報

Regulatory Information · 2 件

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 件

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 件

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

安全と保護具

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 件

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 件

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 件

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)

毒性情報

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.

化学と産業

用途と製造

UsesUsed as an intermediate in chemical production; [Ullmann]

関連反応

6 件

関連ノート

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