2,3-Dicyanohydroquinone (HCID 78467)

名称と識別子

優先名称: 2,3-Dicyanohydroquinone
IUPAC: 3,6-dihydroxybenzene-1,2-dicarbonitrile
現地名: 2,3-ジシアノヒドロキノン
英語名: 3,6-Dihydroxyphthalonitrile
分子式: C8H4N2O2
分子量: 160.13

名称と別名

2,3-Dicyanohydroquinone3,6-Dihydroxyphthalonitrile4733-50-01,2-Benzenedicarbonitrile, 3,6-dihydroxy-Phthalonitrile, 3,6-dihydroxy-TTR9Y6YSS82,3-dicyano-hydroquinoneNSC-435541,4-dihydroxyphthalonitrile3,6-Dihydroxy-1,2-benzenedicarbonitrileDTXSID80197109RefChem:442078

名称をさらに表示

2,3-ジシアノヒドロキノン3,6-ジヒドロキシ-1,2-ベンゼンジカルボニトリル3,6-ジヒドロキシフタロニトリル2,3-ジシアノベンゼン-1,4-ジオール2.3-ジシアノハイドロキノン２·３ジシアノハイドロキノン2,3‐ジシアノヒドロキノン3,6-ジヒドロキシベンゼン-1,2-ジカルボニトリルDCHDCHQRARECHEM AQ BD 00153,6-DihydroxyphthaloN#Cc1c(O)ccc(O)c1C#N2,3-dicyanohydroquinme2,3-Dicynohydroquinone3,6-DIHYDROXYPHTHONITRILE2,3-Dicyanohydroquinone>

1,4-DHPN2,3-DCHQDTXCID40119600225-241-03,6-dihydroxybenzene-1,2-dicarbonitrile2,3-Dicyano-p-hydroquinone3,6-Dihydroxyphthalodinitrile2,3-Dicyanobenzene-1,4-diol

データベース識別子

CAS: 4733-50-0
PubChem CID: 78467
DTXSID: DTXSID80197109
UNII: TTR9Y6YSS8
EC Number: 225-241-0
Nikkaji: J30.864A

物性

構造計算による物性

XLogP: 1.8
極性表面積: 88 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 231

物理化学的性質

融点: 230 °C · >230 °C (dec.) (lit.)
沸点: 286.01 °C · 286.01°C (rough estimate)
比重(密度): 1.3848 · 1.3848 (rough estimate)
屈折率: 1.49 · 1.4900 (estimate)
貯蔵温度: 30 °C · Store below +30°C.
酸解離定数(Pka): 6.21 · 6.21±0.23(Predicted)
外見: 結晶性粉末または針
色: カーキからブラウン
水溶解度: 熱湯に溶ける
BRN: 2101249 · 2101249
InChI: InChI=1S/C8H4N2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2,11-12H
InChIKey: MPAIWVOBMLSHQA-UHFFFAOYSA-N
SMILES: C1(C#N)=C(O)C=CC(O)=C1C#N
CAS データベース: 4733 · 4733-50-0(CAS DataBase Reference)

化学的性質

化学的特性khaki-colored to brown crystalline powder or

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information2,3-Dicyanohydroquinone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (89.1%)

法規制情報

Regulatory Information2,3-Dicyanohydroquinone: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
ridadr: UN 2811 6.1/PG III
hs_code: 29269090
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39
hazard_class: 6.1
packing_group: III
毒劇物取締法: 劇物
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

使用2,3-Dicyanohydroquinone was used in the synthesis of phthalonitrile-3,6-ditriflate. It is a fluorescent dye and was used in determination of intracellular pH and calcium in avian neural crest cells.