2,3-Dinitrophenol (HCID 6191)

名称と識別子

優先名称: 2,3-Dinitrophenol
IUPAC: 2,3-dinitrophenol
現地名: 2,3-ジニトロフェノール
英語名: 2,3-DINITROPHENOL
分子式: C6H4N2O5
分子量: 184.11

名称と別名

2,3-DINITROPHENOL66-56-8Phenol, 2,3-dinitro-2,3-DNPDTXSID2075261NSC-156083735M30625HCHEBI:39354RefChem:81872DTXCID7044685200-628-725550-58-7

名称をさらに表示

ψ-ジニトロフェノール2,3-ジニトロフェノール２·３ジニトロフエノル2,3-dinitro-phenoDinitrophenol, 2,3-2,3-dinitrophenolmoistenedwithwater(h2o~20%)2,3-Dinitrophenol moistened with water, >=98.0% (HPLC)

2,3-Dinitrofenol [Czech]2,3-DinitrofenolCCRIS 3101EINECS 200-628-7NSC 156083BRN 2213580Phenol,3-dinitro-NSC156083

データベース識別子

CAS: 66-56-8
PubChem CID: 6191
DTXSID: DTXSID2075261
ChEMBL: CHEMBL3347393
ChEBI: CHEBI:39354
UNII: 735M30625H
EC Number: 200-628-7
Nikkaji: J53.754C

物性

構造計算による物性

XLogP: 1.9
極性表面積: 112 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 220

実験および物理化学的性質

Density1.681 @ 20°C

Melting Point144.5 °C

Vapor Pressure0.000012 [mmHg]

Physical DescriptionYellow needles or crystals

物理化学的性質

融点: 141 · 141-145 °C
沸点: 329 ℃ · 329℃
比重(密度): 1.65 · 1.650
屈折率: 1.4738 · 1.4738 (estimate)
闪点: 151 ℃ · 151℃
溶解性: 溶解度水にやや溶けにくい。エタノール、エーテルに可溶
酸解離定数(Pka): 4.86 · 4.86, 4.96(at 25℃)
色: 黄色い針
BRN: 2213580 · 2213580
主な用途: バイオセンサー設計、薬物送達
InChI: 1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H
InChIKey: MHKBMNACOMRIAW-UHFFFAOYSA-N
SMILES: Oc1cccc(c1[N+]([O-])=O)[N+]([O-])=O
CAS データベース: 66 · 66-56-8
EPAの化学物質情報: 2 · Phenol, 2,3-dinitro- (66-56-8)

化学的性質

化学的特性Yellow monoclinic prisms, flammable. Soluble in ether, benzene, and ethanol; slightly soluble in water.

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]；H311: Toxic in contact with skin [Danger Acute toxicity, dermal]；H331: Toxic if inhaled [Danger Acute toxicity, inhalation]；H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

危険有害性情報

Hazards SummaryMay cause irritation, disruption of oxidative phosphorylation, liver injury, and dermatitis; Highly toxic by inhalation; Toxic by ingestion and skin absorption; [Aldrich MSDS] See Dinitrophenol.

Hazard Classes and Categories · 3 件

Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；STOT RE 2 (100%)；Aquatic Chronic 2 (100%)

Acute toxicity - category 3；Acute toxicity - category 3；Acute toxicity - category 3；Specific target organ toxicity (repeated exposure) - category 2；Hazardous to the aquatic environment (chronic) - category 2

Acute Tox. 3 *；Acute Tox. 3 *；Acute Tox. 3 *；STOT RE 2 *；Aquatic Chronic 2

安全と保護具

Protective Action Criteria (PAC) · 3 件

1.5 [mg/m3]

13 [mg/m3]

75 [mg/m3]

毒性情報

Adverse Effects · 1 件

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect；Other Poison - Uncoupler

安全データ

wgk: 3
rtecs: SL2700000
ridadr: UN 1320 4.1/PG 1
risk_code: 23/24/25-33-51/53
hazard_code: T,N
safety_code: 28-37-45-61
hazard_class: 4.1
packing_group: I
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2Expl. 1.1STOT RE 2
ストレージクラス: 4.1B - Flammable solid hazardous materials

化学と産業

用途と製造

UsesA minor constituent of commercial dinitrophenol mixtures, which are used to make dyes, wood preservatives, photographic developers, explosives, insecticides, and other chemicals; [ATSDR ToxProfiles]

応用分野

使用2,3-Dinitrophenol may be employed as nitrogen supplement for the bacterial culture medium.

一般的な説明2,3-Dinitrophenol is a nitroaromatic compound. It has been reported to exhibit high acute toxicity to Scenedesmus obliquus, with EC50 value of 2.5±0.8.