2-ニトロ-5-ヒドロキシ安息香酸

5-Hydroxy-2-nitrobenzoic acid

HCID 11882CAS 610-37-7

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(O)c1cc(O)ccc1[N+](=O)[O-]
InChIKey: BUHKQTKKZAXSMH-UHFFFAOYSA-N
分子式: C7H5NO5
平均分子量: 183.12 g/mol
単同位体質量: 183.01677226

名称と識別子

優先名称: 5-Hydroxy-2-nitrobenzoic acid
IUPAC: 5-hydroxy-2-nitrobenzoic acid
現地名: 2-ニトロ-5-ヒドロキシ安息香酸
英語名: 5-Hydroxy-2-nitrobenzoic acid
分子式: C7H5NO5
分子量: 183.12

名称と別名

5-Hydroxy-2-nitrobenzoic acidBENZOIC ACID, 5-HYDROXY-2-NITRO-BRN 2107504DTXSID202098564-10-00-00338 (Beilstein Handbook Reference)RefChem:102766DTXCID70132347629-984-5BUHKQTKKZAXSMH-UHFFFAOYSA-N610-37-73-Carboxy-4-nitrophenolMFCD00017566

名称をさらに表示

5-ヒドロキシ-2-ニトロ安息香酸2-ニトロ-5-ヒドロキシ安息香酸5‐ヒドロキシ‐2‐ニトロ安息香酸RARECHEM AL BE 06795-Hydroxy-2-nitrobenzoic5-hydroxy-2-nitro-benzoicaci3-Hydroxy-6-nitro benzoic acid5-Hydroxy-2-nitrobenzoicAcid>Benzoic acid, 5-hydroxy-2-nitro-5-Hydroxy-2-nitrobenzoic acid, tech

AKOS009157631CS-W017066AC-3262H1321EN300-116557AO-801/41077445doi:10.14272/BUHKQTKKZAXSMH-UHFFFAOYSA-N.12-Nitro-5-hydroxybenzoic acid

データベース識別子

CAS: 610-37-7
PubChem CID: 11882
DTXSID: DTXSID20209856
UNII: G78T63TEY2
EC Number: 629-984-5
Nikkaji: J385.141I

物性

構造計算による物性

XLogP: 1.1
極性表面積: 103 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 223

物理化学的性質

融点: 170 · 170-171°C
沸点: 455 · 455.0±40.0 °C(Predicted)
比重(密度): 1.631 · 1.631
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 2.06 · 2.06±0.25(Predicted)
色: White to Yellow to Green
CAS データベース: 610 · 610-37-7(CAS DataBase Reference)

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 (87.5%): 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 8 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (87.5%)

安全データ

hs_code: 29163990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39

化学と産業

応用分野

使用5-Hydroxy-2-nitrobenzoic acid inhibits the activity of wild type-bovine low Mr protein tyrosine phosphatase. The inhibition constant has been evaluated.