2-メトキシ-5-ニトロ安息香酸

2-Methoxy-5-nitrobenzoic acid

HCID 284163

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基本情報

CAS: 40751-89-1
標準SMILES: COc1ccc([N+](=O)[O-])cc1C(=O)O
InChIKey: CVZUPRDSNNBZLH-UHFFFAOYSA-N
分子式: C8H7NO5
平均分子量: 197.14 g/mol
単同位体質量: 197.03242232

名称と識別子

優先名称: 2-Methoxy-5-nitrobenzoic acid
IUPAC: 2-methoxy-5-nitrobenzoic acid
現地名: 2-メトキシ-5-ニトロ安息香酸
英語名: 2-METHOXY-5-NITROBENZOIC ACID
分子式: C8H7NO5
分子量: 197.14

名称と別名

2-Methoxy-5-nitrobenzoic acid40751-89-1DTXSID30300904RefChem:87858DTXCID10252038670-278-1CVZUPRDSNNBZLH-UHFFFAOYSA-NMFCD005279022-Methoxy-5-nitro-benzoic acid2-METHOXY-5-NITROBENZOICACIDNSC139931SCHEMBL1671926

名称をさらに表示

2-メトキシ-5-ニトロ安息香酸Benzoic acid, 2-methoxy-5-nitro-2-Methoxy-5-nitrobenzoic acid, 96%,2-Methoxy-5-nitrobenzoic acid≥ 98% (HPLC)

2-methoxy-5-nitro benzoic acidBBL035691STK498307AKOS000112213AB06422NSC 139931NSC-139931DS-13174

データベース識別子

CAS: 40751-89-1
PubChem CID: 284163
DTXSID: DTXSID30300904
EC Number: 670-278-1
Nikkaji: J1.845.851I

物性

構造計算による物性

XLogP: 1.4
極性表面積: 92.4 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: 2
重原子数: 14
形式電荷: 0
複雑度: 236

物理化学的性質

融点: 155 · 155-158℃
貯蔵温度: Sealed in dry,Room Temperature
CAS データベース: 40751 · 40751-89-1

化学的性質

化学的特性White to off-white powder

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 5 reports by companies from 2 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.