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HCID 586408Erstellt: 27. Oktober 2026

2-Amino-3-fluorobenzoic acid

3-FLUOROANTHRANILIC ACID · Diaphonic acid · BUTTPARK 22\01-93 · uorobenzenecarboxyL · 2-AMino-3-fluorobenz · 2-AMINO-3-FLUOROBENZOIC · 3-FluoroanthranilicAcid>2-Amino-3-fluorobenzoicAci · 2-AMINO-3-FLUOROBENZOIC ACID

https://huagongshe.com/de/chemical/586408

Molekülstruktur von 2-Amino-3-fluorobenzoic acid

Identifikatoren & physikalische Daten

CAS No.	825-22-9
Summenformel	C7H6FNO2
Durchschnittliche Molmasse	155,13 g/mol
Monoisotopische Masse	155,03825665 g/mol
SMILES	Nc1c(F)cccc1C(=O)O
InChIKey	KUHAYJJXXGBYBW-UHFFFAOYSA-N
PubChem CID	586408
EC No.	630-115-7
DTXSID	DTXSID70342984

Chemische & physikalische Eigenschaften

XLogP	1,4
Polarare Oberfläche (TPSA)	63,3
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	163
Schmelzpunkt	171-172°C
Siedepunkt	294.4±25.0 °C(Predicted)
Dichte	1.430±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	4.60±0.10(Predicted)
Farbe	White to Light yellow to Light orange
InChI	InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey	KUHAYJJXXGBYBW-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC=CC(F)=C1N
CAS Datenbank	825-22-9(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (40%)
Zollcode	29223990
R-Sätze (R)	36/37/38-22
Gefahrensymbole	Xi,Xn
Sicherheitshinweise (S)	26-36/37/39-24/25
Gefahrenklasse	IRRITANT

CAS No.

825-22-9

Summenformel

C7H6FNO2

Durchschnittliche Molmasse

155,13 g/mol

Monoisotopische Masse

155,03825665 g/mol

SMILES

Nc1c(F)cccc1C(=O)O

InChIKey

KUHAYJJXXGBYBW-UHFFFAOYSA-N

PubChem CID

586408

EC No.

630-115-7

DTXSID

DTXSID70342984

Chemische & physikalische Eigenschaften

XLogP

1,4

Polarare Oberfläche (TPSA)

63,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

163

Schmelzpunkt

171-172°C

Siedepunkt

294.4±25.0 °C(Predicted)

Dichte

1.430±0.06 g/cm3(Predicted)

Lagerbedingungen

Keep in dark place,Sealed in dry,Room Temperature

Löslichkeit

soluble in Methanol

Aggregatzustand

powder to crystal

pKa (Säurekonstante)

4.60±0.10(Predicted)

Farbe

White to Light yellow to Light orange

InChI

InChI=1S/C7H6FNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)

InChIKey

KUHAYJJXXGBYBW-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC=CC(F)=C1N

CAS Datenbank

825-22-9(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (40%)

Zollcode

29223990

R-Sätze (R)

36/37/38-22

Gefahrensymbole

Xi,Xn

Sicherheitshinweise (S)

26-36/37/39-24/25

Gefahrenklasse

IRRITANT