2-Amino-6-fluorobenzoic acid (HCID 521142)

개요

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

이름 및 식별자

우선 이름: 2-Amino-6-fluorobenzoic acid
IUPAC: 2-amino-6-fluorobenzoic acid
영어명: 2-Amino-6-fluorobenzoic acid
분자식: C7H6FNO2
분자량: 155.13

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 167 · 167-169 °C (lit.)
끓는 점: 223.67 °C · 223.67°C (rough estimate)
밀도: 1.3021 · 1.3021 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 4.01 · 4.01±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 노란색에서 갈색으로
BRN: 3540926 · 3540926
주요 응용: 펩타이드 합성
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
NIST: 6 · Anthralic acid, 6-fluoro-(434-76-4)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29224999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Used 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.