4-(Difluoromethoxy)nitrobenzene (HCID 2737014)

名称と識別子

優先名称: 4-(Difluoromethoxy)nitrobenzene
IUPAC: 1-(difluoromethoxy)-4-nitrobenzene
現地名: 4-(ジフルオロメトキシ)ニトロベンゼン
英語名: 4-(Difluoromethoxy)nitrobenzene
分子式: C7H5F2NO3
分子量: 189.12

名称と別名

4-(Difluoromethoxy)nitrobenzene1544-86-11-(difluoromethoxy)-4-nitrobenzeneSVGGBARCOQPYMV-UHFFFAOYSA-DTXSID30371770RefChem:515845DTXCID30322803633-854-3InChI=1/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H1-(difluoromethoxy)-4-nitro-benzeneMFCD000850094-(difluoromethoxy)-1-nitrobenzene

名称をさらに表示

4-(ジフルオロメトキシ)ニトロベンゼン1-(ジフルオロメトキシ)-4-ニトロベンゼン4-ニトロ-α,α-ジフルオロアニソール1-ジフルオロメトキシ-4-ニトロベンゼンジフルオロメチル(4-ニトロフェニル)エーテル1-ニトロ-4-(ジフルオロメトキシ)ベンゼンジフルオロメチル4-ニトロフェニルエーテル4-ニトロフェニル(ジフルオロメチル)エーテルBUTTPARK 45\10-48α,α-Difluoro-p-nitroanisoleAnisole,α,α-difluoro-p-nitro-p-NitrophenyldifluoromethyletherDifluoromethyl4-nitrophenylether4-(Difluoromethoxy)nitrobenzene98%4-(Difluoromethoxy)nitrobenzen, 98%

Benzene, 1-(difluoromethoxy)-4-nitro-4-difluoromethoxynitrobenzeneSCHEMBL4918677SCHEMBL6194967YQF09431-Difluoromethoxy-4-nitro-benzene4-Nitro-alpha,alpha-difluoroanisoleSBB064885

データベース識別子

CAS: 1544-86-1
PubChem CID: 2737014
DTXSID: DTXSID30371770
EC Number: 633-854-3
Nikkaji: J1.191.310E

物性

構造計算による物性

XLogP: 3
極性表面積: 55.1 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 175

物理化学的性質

融点: 37 · 37-40 °C (lit.)
沸点: 108 °C · 108 °C
比重(密度): 1.384 · 1.384±0.06 g/cm3(Predicted)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
外見: powder to lump
色: Light yellow to Brown to Dark green
凝固点: 31 to · 31.0 to 34.0 ℃
InChI: 1S/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H
InChIKey: SVGGBARCOQPYMV-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(OC(F)F)cc1
CAS データベース: 1544 · 1544-86-1(CAS DataBase Reference)

化学的性質

化学的特性Pale Yellow Crystal.

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.9%): 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 (10.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (89.1%): 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 46 reports by companies from 6 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 (97.8%)；Acute Tox. 4 (10.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (10.9%)；STOT SE 3 (89.1%)

安全データ

wgk: 3
ridadr: 3276
hs_code: 29049090
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36/37
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 13 - Non Combustible Solids

化学と産業

応用分野 · 2 件

使用4-(Difluoromethoxy)nitrobenzene is an industrial chemical that can be used to make 4-fluoro-3-pyridinol (F3P), a compound that has potential as a new drug for the treatment of cancer. The synthesis of F3P begins with the reaction of 4-(difluoromethoxy)nitrobenzene and potassium hydroxide in methanol, which yields 4-fluoro-3-hydroxypyridine. This product is then reacted with ammonia gas and pyridine to yield F3P. The final step involves heating the product at high temperature with nitric acid, which yields nitrobenztriazole.

一般的な説明4-(Difluoromethoxy)nitrobenzene (1-(difluoromethoxy)-4-nitrobenzene) can be synthesized by reacting 4-nitrophenol with KOH, water and methanol.

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

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

4-(ジフルオロメトキシ)ニトロベンゼン

基本情報