1,5(또는1,8)-디니트로나프탈렌

1,5-Dinitronaphthalene

HCID 11803CAS 27478-34-8

기본 정보

표준 SMILES
O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12
InChIKey
ZUTCJXFCHHDFJS-UHFFFAOYSA-N
분자식
C10H6N2O4
평균 분자량
218.17 g/mol
단동위원소 질량
218.03275667

개요

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

이름 및 식별자

우선 이름
1,5-Dinitronaphthalene
IUPAC
1,5-dinitronaphthalene
현지명
1,5(또는1,8)-디니트로나프탈렌
영어명
1,5(or 1,8)-dinitronaphthalene
분자식
C10H6N2O4
분자량
218.16564

이름 및 동의어

1,5-DINITRONAPHTHALENE605-71-0Naphthalene, 1,5-dinitro-DTXSID4025165UI2S14IW4TNSC-20593DTXCID505165CHEBI:50640RefChem:417284210-095-271607-49-3MFCD00003916
이름 더 보기
1,5(또는1,8)-디니트로나프탈렌
1,5(Or 1,8)-dinitronaphthaleneNaphthalene, dinitro-CCRIS 6028EINECS 210-095-2NSC 20593UNII-UI2S14IW4TBRN 0527184Napththalene, 1,5-dinitro-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.6
극성 표면적
91.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
16

실험 및 물리화학적 성질

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)

안전 및 규제

GHS 분류

GHS Classification · 5건

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

유해성 정보

Regulatory Information · 2건

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 · 1건

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 · 1건

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

안전 및 보호

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 · 1건

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 · 1건

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) · 1건

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)

독성 정보

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.

화학 및 산업

용도 및 제조

UsesUsed as an intermediate in chemical production; [Ullmann]

관련 반응

6건

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