2-フルオロテレフタル酸ジメチル

Dimethyl 2-fluoroterephthalate

HCID 79178CAS 5292-47-7

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)c1ccc(C(=O)OC)c(F)c1
InChIKey: NCRFSIQSCLJDIC-UHFFFAOYSA-N
分子式: C10H9FO4
平均分子量: 212.17 g/mol
単同位体質量: 212.04848693

名称と識別子

優先名称: Dimethyl 2-fluoroterephthalate
IUPAC: dimethyl 2-fluorobenzene-1,4-dicarboxylate
現地名: 2-フルオロテレフタル酸ジメチル
英語名: Dimethyl 2-fluoroterephthalate
分子式: C10H9FO4
分子量: 212.17

名称と別名

Dimethyl 2-fluoroterephthalate5292-47-7EINECS 226-135-7DTXSID102009731,4-Benzenedicarboxylic acid, 2-fluoro-, 1,4-dimethyl esterRefChem:588154DTXCID40123464226-135-72-fluoroterephthalic acid dimethyl esterdimethyl 2-fluorobenzene-1,4-dicarboxylateDimethyl fluoroterephthalate1,4-dimethyl 2-fluorobenzene-1,4-dicarboxylate

名称をさらに表示

2-フルオロテレフタル酸ジメチルフルオロテレフタル酸ジメチルジメチル2-フルオロテレフタラート1,4-ジメチル 2-フルオロベンゼン-1,4-ジカルボキシラートDIM1845993,3'-MethylenebisindoleDimethyl2-fluoroterephthalate98%Dimethyl 2-fluoroterephthalate 98%

MFCD000422661,4-Benzenedicarboxylic acid, 2-fluoro-, dimethyl estermethyl 3-fluoro-4-(methoxycarbonyl)benzoateFT-06250565JJ8JJ46JASCHEMBL523320Dimethyl 2-fluorobenzene-1,4-dicarbdimethyl 2-fluorobenzene-1,4-dioate

データベース識別子

CAS: 5292-47-7
PubChem CID: 79178
DTXSID: DTXSID10200973
UNII: 5JJ8JJ46JA
EC Number: 226-135-7
Nikkaji: J297.982I

物性

構造計算による物性

XLogP: 2.8
極性表面積: 52.6 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: 4
重原子数: 15
形式電荷: 0
複雑度: 254

物理化学的性質

融点: 83 · 83-85 °C(lit.)
沸点: 80 · 80-90 °C0.35 mm Hg(lit.)
比重(密度): 1.252 · 1.252±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: 粉
CAS データベース: 5292 · 5292-47-7(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal 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 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 29173990
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT

化学と産業

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上海康恩博医药科技有限公司17510465506 · [email protected]

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武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]