5-ニトロ-2-フランメタノール

5-Nitrofurfuryl alcohol

HCID 17230CAS 2493-04-1
部分構造検索類似構造を探す

基本情報

標準SMILES
O=[N+]([O-])c1ccc(CO)o1
InChIKey
NDSTUUPEXNCUNW-UHFFFAOYSA-N
分子式
C5H5NO4
平均分子量
143.1 g/mol
単同位体質量
143.02185764

名称と識別子

優先名称
5-Nitrofurfuryl alcohol
IUPAC
(5-nitrofuran-2-yl)methanol
現地名
5-ニトロ-2-フランメタノール
英語名
5-Nitrofurfuryl alcohol
分子式
C5H5NO4
分子量
143.1

名称と別名

5-Nitrofurfuryl alcohol2493-04-1FURFURYL ALCOHOL, 5-NITRO-AI3-23604NSC 6454BRN 0123848DTXSID60179640Furan, 2-hydroxymethyl-5-nitro-5-17-03-00350 (Beilstein Handbook Reference)RefChem:103266DTXCID20102131624-864-9
名称をさらに表示
5-ニトロフルフリルアルコール5-ニトロ-2-フランメタノール(5-ニトロフラン-2-イル)メタノール5-Nitrofuryl alcohol(5-Nitrofuran-2-yl)5-nitro-2-furanmethano5-nitro-furfurylalcoho5-NITRO-2-FURFURYL ALCOHOL2-Furanmethanol, 5-nitro- (9CI)
NDSTUUPEXNCUNW-UHFFFAOYSA-N(5-nitrofuran-2-yl)methanol2-Furanmethanol, 5-nitro-5-Nitro-2-furanmethanol2-Furfuryl alcohol, 5-nitro-2-Hydroxymethyl-5-nitrofuranMFCD00272267NSC-6454

データベース識別子

CAS
2493-04-1
PubChem CID
17230
DTXSID
DTXSID60179640
UNII
SD64757V5Y
EC Number
624-864-9
Nikkaji
J37.041J

物性

構造計算による物性

XLogP
0.4
極性表面積
79.2 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
1
重原子数
10

物理化学的性質

融点
30 · 30-32 °C
沸点
104 · 104-105 °C/3 mmHg (lit.)
比重(密度)
1.283 g/mL · 1.283 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.582(lit.)
闪点
230 °F · >230 °F
貯蔵温度
2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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 39 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 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全データ

wgk
3
rtecs
LU9174000
hs_code
2932190090
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
26-36

化学と産業

応用分野 · 2 件

説明Nitrofurfuryl alcohol has been used as an antibacterial, antiprotozoal, and antihelminthic drug in human and animals. The mechanism of nitrofurfuryl alcohol toxicity is not clear but the nitro group is believed responsible for the carcinogenicity and mutagenicity of nitrofurfuryl alcohol.

使用5-Nitrofurfuryl alcohol was used to investigate the reduction of some 2-substituted-5-nitrofuran compounds by rhodium complex [Rh(COD)(2-picoline)2](PF6) (COD = 1,5-cyclooctadiene) anchored on poly(4-vinylpyridine). It may be used for the synthesis of 5-nitrofurfuryl bromide and 5-nitrofurfurylamine hydrochloride.

上流・下流製品情報

サプライヤー39 社

陕西缔都新材料有限公司81124267 17392282731 · [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]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

関連反応

3 件
反応記録を作成

関連ノート

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