3-(4-ニトロフェノキシ)プロピオン酸

3-(4-Nitrophenoxy)propionic acid

HCID 351535

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 10572-16-4
標準SMILES: O=C(O)CCOc1ccc([N+](=O)[O-])cc1
InChIKey: RRQDYEMTBDVXQY-UHFFFAOYSA-N
分子式: C9H9NO5
平均分子量: 211.17 g/mol
単同位体質量: 211.04807239

名称と識別子

優先名称: 3-(4-Nitrophenoxy)propionic acid
IUPAC: 3-(4-nitrophenoxy)propanoic acid
現地名: 3-(4-ニトロフェノキシ)プロピオン酸
英語名: 3-(4-Nitrophenyl)propanoic acid
分子式: C9H9NO5
分子量: 211.17

名称と別名

3-(4-Nitrophenoxy)propionic acidRefChem:493362831-987-310572-16-43-(4-Nitrophenoxy)propanoic acidMFCD000437483-[p-Nitrophenoxy]propionic acid3-(p-nitrophenoxy)propionic acid3-(4-Nitrophenoxy)-propanoic acidSCHEMBL3032142CHEMBL45406963-(4-Nitrophenoxy)propanoicacid

名称をさらに表示

3-(4-ニトロフェノキシ)プロピオン酸3-(4-nitrophenoxy)propanoate3-(4-NITROPHENYL)PROPIONIC ACIDPropanoic acid, 3-(4-nitrophenoxy)-3-(4-NITROPHENOXY)PROPIONIC ACID ---POWDER PURE---3-(4-NITROPHENOXY)PROPIONIC ACID ---POWDER, 98% PURE---

TIMTEC-BB SBB007969DTXSID709096923-[p-nitrophenoxy] propionic acid3-(4-Nitrophenyloxy)propionic acid3-(P-NITROPHENOXY)PROPIONICKAA572163-(4-nitro-phenoxy)-propionic acid3-(4-Nitrophenoxy)propanoic acid #

データベース識別子

CAS: 10572-16-4
PubChem CID: 351535
DTXSID: DTXSID70909692
ChEMBL: CHEMBL4540696
EC Number: 831-987-3

物性

構造計算による物性

XLogP: 1.7
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: 4
重原子数: 15
形式電荷: 0
複雑度: 229

物理化学的性質

融点: 118 · 118-119 °C
沸点: 383.6 · 383.6±17.0 °C(Predicted)
比重(密度): 1.38 · 1.380±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 4 · 4.00±0.10(Predicted)
CAS データベース: 10572 · 10572-16-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2918999090
hazard_code: Xi
hazard_note: Irritant

化学と産業

上流・下流製品情報

上流原料

3-ブロモプロピオン酸 3-クロロプロピオン酸 1-Propanol, 3-(4-nitrophenoxy)-Propanenitrile, 3-(4-nitrophenoxy)-p-ニトロフェノール水和物カリウムヒドロキシドエタノール

サプライヤー50 社

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

成都市久鼎化学技术有限公司18584079237 · [email protected]

化合物ノート

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