5-フルオロアントラニル酸メチル

Methyl 2-amino-5-fluorobenzoate

HCID 2783401

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 319-24-4
標準SMILES: COC(=O)c1cc(F)ccc1N
InChIKey: PUDDYSBKCDKATP-UHFFFAOYSA-N
分子式: C8H8FNO2
平均分子量: 169.15 g/mol
単同位体質量: 169.05390672

名称と識別子

優先名称: Methyl 2-amino-5-fluorobenzoate
IUPAC: methyl 2-amino-5-fluorobenzoate
現地名: 5-フルオロアントラニル酸メチル
英語名: 2-Amino-5-fluorobenzoic acid methyl ester
分子式: C8H8FNO2
分子量: 169.15

名称と別名

Methyl 2-amino-5-fluorobenzoate319-24-4DTXSID80382639EC 608-681-1RefChem:157293DTXCID60333664608-681-12-Amino-5-fluorobenzoic acid methyl esterBENZOIC ACID, 2-AMINO-5-FLUORO-, METHYL ESTERMFCD03791308METHYL 5-FLUOROANTHRANILATEmethyl 2-amino-5-fluoro-benzoate

名称をさらに表示

5-フルオロアントラニル酸メチル2-アミノ-5-フルオロ安息香酸メチル2-アミノ-5-フルオロ安息香酸メチル, 98%Methyl-5-fluoroanthranilateMethyl 2-amino-5-fluorobenzoat2-Amino-5-fluorbenzoesuremethylester2-AMINO-5-FLUOROBENZONIC ACID METHYL ESTER4-Fluoro-2-(methoxycarbonyl)aniline, Methyl 5-fluoroanthranilate

5-Fluoroanthranilic Acid Methyl EsterAKOS005255207EN300-42149methyl2-amino-5-fluorobenzoate4-Fluoro-2-(methoxycarbonyl)aniline2-amino-5-fluoro benzoic acid methyl esterFT-0612082SCHEMBL165608

データベース識別子

CAS: 319-24-4
PubChem CID: 2783401
DTXSID: DTXSID80382639
EC Number: 608-681-1

物性

構造計算による物性

XLogP: 2.8
極性表面積: 52.3 Å²
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: 2
重原子数: 12
形式電荷: 0
複雑度: 174

物理化学的性質

融点: 34 · 34-37°C
沸点: 100 · 100-102°C 0,5mm
比重(密度): 1 · 1,26 g/cm3
蒸気圧: 10 · 10-80Pa at 20-50℃
闪点: 132 °C · 132°C
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 2.08 · 2.08±0.10(Predicted)
外見: powder to lump
色: White to Yellow to Green
BRN: 2803210 · 2803210
LogP: 2.4 · 2.4-2.47 at 20-25℃
表面張力: 53.1 mN/m · 53.1mN/m at 1g/L and 20℃
CAS データベース: 319 · 319-24-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Cease Manufacture Update: 23-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11929

Hazard Classes and CategoriesAcute Tox. 4 (20%)

安全データ

hs_code: 29224999
risk_code: 52/53
hazard_note: Harmful
safety_code: 22-24/25-61

化学と産業

応用分野 · 1 件

使用2-Amino-5-fluorobenzoic acid methyl ester is used as an intermediate component in the preparation of hepatitis B virus (HBV) vaccines and quinazoline derivatives. It is also used in the synthesis of other organic heterocyclic compounds such as 2-aminobenzoates and α,β-unsaturated ketones.