CAS 434-76-4 2-Amino-6-fluorobenzoic acid (HCID 521142)

概要

2-Amino-6-fluorobenzoic acid is an aminobenzoic acid.

名称と識別子

優先名称: 2-Amino-6-fluorobenzoic acid
IUPAC: 2-amino-6-fluorobenzoic acid
現地名: 6-フルオロアントラニル酸
英語名: 2-Amino-6-fluorobenzoic acid
分子式: C7H6FNO2
分子量: 155.13

名称と別名

2-Amino-6-fluorobenzoic acid434-76-4DTXSID609630066-FABA cpdRefChem:85312DTXCID301456700627-707-26-Fluoroanthranilic acidAnthralic acid, 6-fluoro-benzoic acid, 2-amino-6-fluoro-MFCD000677816-fluoroanthranilate

名称をさらに表示

6-フルオロアントラニル酸6‐フルオロアントラニル酸2-アミノ-6-フルオロ安息香酸2‐アミノ‐6‐フルオロ安息香酸BUTTPARK 44\01-59TIMTEC-BB SBB006549RARECHEM AL BO 02792-Amino-6-Fluorobenzoic2-amino-6-fluorobenzoate6-FluoroanthranilicAcid>2-aMino-6-flourobenzoicacid

2-amino-6-fluoro-benzoic acid2-Azanyl-6-Fluoranyl-Benzoic Acid6-FABA2-Amino-6-fluorobenzoicacid2-amino-6-luorobenzoic acid6-amino-2-fluorobenzoic acidSCHEMBL283962AC-3438

データベース識別子

CAS: 434-76-4
PubChem CID: 521142
DTXSID: DTXSID60963006
ChEMBL: CHEMBL4453722
ChEBI: CHEBI:194591
EC Number: 627-707-2
Nikkaji: J2.644.483G

物性

構造計算による物性

XLogP: 1.4
極性表面積: 63.3 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 163

物理化学的性質

融点: 167 · 167-169 °C (lit.)
沸点: 223.67 °C · 223.67°C (rough estimate)
比重(密度): 1.3021 · 1.3021 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: soluble in Methanol
酸解離定数(Pka): 4.01 · 4.01±0.10(Predicted)
外見: 結晶性粉末
色: 黄色から茶色
BRN: 3540926 · 3540926
主な用途: ペプチド合成
InChI: InChI=1S/C7H6FNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey: RWSFZKWMVWPDGZ-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=C(F)C=CC=C1N
CAS データベース: 434 · 434-76-4(CAS DataBase Reference)
NISTの化学物質情報: 6 · Anthralic acid, 6-fluoro-(434-76-4)

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 · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 48 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29224999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用Used in the synthesis of a novel benzamide with potent neuroleptic activity. 5- fluoro-2-methyl-3,l-benzoxazin-4-one was obtained from 2-amino-6-fluorobenzoic acid. The condensation of 2-amino-6-fluorobenzoic acid methyl ester and (4-fluorophenyl) acetyl chloride with N,N-dimethylamino-4-pyridine in CH 2 Cl 2 to give 2-fluoro-6-[2-(4-fluoro-phenyl)-acetylamino]-benzoic acid methyl ester in 61% yield. 2 Amino 6 fluorobenzoic acid is another easily ac cessible synthon for construction of monofluorinated heterocycles. Reactions of 2,3,4,6-tetra-O-acetyl-n-D_glucopyranosyl bromide (2) with p-hydroxybenzaldehyde, trifluoromethyl and fluoro substi- tuted aniline and 2-amino-6-fluorobenzoic acid gave lO-(Pformyl- pheny1)-2,3,4,6-tetra-O-acetyl-(3-D-glucopyranoside. 2-Fluoro-6-iodobenzoic acid,a loose white crystal,was synthesized by using 2-amino-6-fluorobenzoic acid as the starting material.