2-ヒドロキシ-3,5-ジニトロベンズアルデヒド

3,5-Dinitrosalicylaldehyde

HCID 75571
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基本情報

CAS
2460-59-5
標準SMILES
O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIKey
FLJXIBHYDIMYRS-UHFFFAOYSA-N
分子式
C7H4N2O6
平均分子量
212.12 g/mol
単同位体質量
212.00693585

名称と識別子

優先名称
3,5-Dinitrosalicylaldehyde
IUPAC
2-hydroxy-3,5-dinitrobenzaldehyde
現地名
2-ヒドロキシ-3,5-ジニトロベンズアルデヒド
英語名
3,5-DINITROSALICYLALDEHYDE
分子式
C7H4N2O6
分子量
212.12

名称と別名

3,5-Dinitrosalicylaldehyde2460-59-5Benzaldehyde, 2-hydroxy-3,5-dinitro-VXZ9XBT2TWDTXSID4062434RefChem:561332DTXCID0037106219-551-52-Hydroxy-3,5-dinitrobenzaldehyde3,5-Dinitro-2-hydroxybenzaldehydeMFCD000071032-Hydroxy-3,5-dinitro-benzaldehyde
名称をさらに表示
2-ヒドロキシ-3,5-ジニトロベンズアルデヒド3,5-ジニトロ-2-ヒドロキシベンズアルデヒド3,5-ジニトロサリチルアルデヒド3,5-Dinitrosalicylaldehyde 97%2-formyl-4,6-dinitrobenzen-1-olate2-HYDROXY-3,5-DINITROBENZALDEHYDE 95%BENZENE DERIVATIVE(3,5- DINITROSALICYLALDEHYDE )
EINECS 219-551-535-DinitrosalicylaldehydeSCHEMBL831073SCHEMBL27330165SCHEMBL294418093,5-Dinitrosalicylaldehyde, 97%ALBB-025884BBL023192

データベース識別子

CAS
2460-59-5
PubChem CID
75571
DTXSID
DTXSID4062434
UNII
VXZ9XBT2TW
EC Number
219-551-5
Nikkaji
J216.099D

物性

構造計算による物性

XLogP
1.1
極性表面積
129 Ų
水素結合供与体数
1
水素結合受容体数
6
回転可能結合数
1
重原子数
15

物理化学的性質

融点
68 · 68-70 °C(lit.)
沸点
301.5 · 301.5±42.0 °C(Predicted)
比重(密度)
1.721 · 1.721±0.06 g/cm3(Predicted)
酸解離定数(Pka)
2.06 · 2.06±0.44(Predicted)
水溶解度
0.6 g/100 · 水に可溶、0.6 g/100 mL (18°C)。
BRN
1121900 · 1121900

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 (100%): 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 43 reports by companies from 3 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 InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

法規制情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

安全データ

wgk
3
tsca
TSCA listed
ridadr
2811
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39

化学と産業

用途と製造

General Manufacturing InformationBenzaldehyde, 2-hydroxy-3,5-dinitro-: INACTIVE
応用分野 · 1 件

使用It is used to produce 3-(2-hydroxy-3,5-dinitro-phenyl)-propenal with acetaldehyde. 3,5-Dinitrosalicylaldehyde has been used in the preparation of salicyldimine ligand via Schiff base condensation with allyl-substituted aniline, 3-hydroxycoumarins2, chromogenic proteinase substrates and ruthenium(II) chiral Schiff base complexes.

上流・下流製品情報

サプライヤー28 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

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