基本情報
- CAS
35860-51-6- 標準SMILES
O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1O- InChIKey
LQCKFXAPVKCRRU-UHFFFAOYSA-N- 分子式
- C6H4N2O6
- 平均分子量
- 200.11 g/mol
- 単同位体質量
- 200.00693585
名称と識別子
- 優先名称
- 2,4-Dinitroresorcinol
- IUPAC
- 2,4-dinitrobenzene-1,3-diol
- 現地名
- 2,4-ジニトロレゾルシノール
- 英語名
- 2，4-Dinitro-1，3-benzene diol
- 分子式
- C6H4N2O6
- 分子量
- 200.11
名称と別名
2,4-DINITRORESORCINOL519-44-81,3-Benzenediol, 2,4-dinitro-EG63RYX560NSC-243680Resorcinol, 2,4-dinitro-3-HYDROXY-2,4-DINITROPHENOLRefChem:1059795208-270-32,4-dinitrobenzene-1,3-diol2,4-Dinitro-1,3-benzenediol1,3-Benzenediol, dinitro-
名称をさらに表示
2,4-ジニトロレゾルシン2,4-ジニトロレゾルシノール2,4-ジニトロレソルシノールジニトロレゾルシノール2,4-ジニトロベンゼン-1,3-ジオール2,4-ジニトロ-1,3-ベンゼンジオール2,4‐ジニトロレゾルシノール2，4-Dinitroresorcinol2，4-Dinitro-1，3-benzene diol
dinitroresorcinol35860-51-6UNII-EG63RYX560EINECS 208-270-3UN0078UN1322NSC 243680Resorcinol,4-dinitro-
データベース識別子
- CAS
35860-51-6、519-44-8- PubChem CID
- 10613
- DTXSID
DTXSID80862103- UNII
- EG63RYX560
- EC Number
- 208-270-3
- Nikkaji
- J6.594C
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 132 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 0
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 246
実験および物理化学的性質
Chemical Classes
Nitrogen Compounds -> Nitros, Aromatic
Flammable agents - 3rd degree
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP2.1
Vapor Pressure0.00000019 [mmHg]
Physical DescriptionYellow solid; [Merck Index] White to light-colored solid; [CAMEO]
物理化学的性質
- 融点
- 147.5 °C · 147.5°C
- 沸点
- 337.8 °C · 337.8°C (rough estimate)
- 比重(密度)
- 1.7942 · 1.7942 (rough estimate)
- 屈折率
- 1.4738 · 1.4738 (estimate)
- 酸解離定数(Pka)
- 4.25 · 4.25±0.24(Predicted)
- 水溶解度
- 6.261 g/L · 6.261g/L(57.70℃)
- EPAの化学物質情報
- 1 · 1,3-Benzenediol, 2,4-dinitro- (519-44-8)
安全と法規制
GHS分類
GHS Classification
Danger
H201 (100%): (Deleted) Explosive; mass explosion hazard [Danger Explosives]
P210, P230, P240, P250, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Danger
H201: (Deleted) Explosive; mass explosion hazard [Danger Explosives]
危険有害性情報
Regulatory Information
Chemical: 1,3-Benzenediol, dinitro-
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards· Flammable/combustible material.
Health Hazards
· Some are toxic and may be fatal if inhaled, ingested or absorbed through skin. Specifically, Dinitrophenol, wetted (UN1320); Dinitrophenolates, wetted (UN1321), Sodium dinitro-o-cresolate, wetted (UN1348); and Barium azide, wetted (UN1571) are known to be toxic.
Hazards SummaryExplodes on intense heating; [Merck Index] A strong oxidizing agent; Can explode from heat or shock when dry; May cause irritation; [CAMEO] See Styphnic acid.
DOT ID and Guide1322 113
DOT Hazard Classification
Dinitroresorcinol, dry or wetted with less than 15 percent water, by mass
UN0078
Div 1.1 Explosives (with a mass explosion hazard) (49 eCFR § 173.50)
2,4-Dinitroresorcinol (heavy metal salts of) (dry)
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Dinitroresorcinol, wetted with not less than 15 percent water, by mass
化学と産業
用途と製造
Uses
Used for dyeing fabrics and as a reagent for cobalt and iron; [Merck Index] Used to make other chemicals; [CAMEO]
Textiles (Printing, Dyeing, or Finishing) [Category: Industry]
調製方法
純化方法Crystallise the resorcinol from aqueous EtOH. Its solubility at 25o is 0.25% in EtOH and 0.08g/L in H2O. EXPLOSIVE. [Beilstein 6 II 824, 6 III 4352, 6 IV 5696.]
上流・下流製品情報
上流原料
関連反応
2 件
化合物ノート
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