3-Aminobenzoesure

3-Aminobenzoic Acid

HCID 7419CAS 99-05-8
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Grundinformationen

Standard-SMILES
Nc1cccc(C(=O)O)c1
InChIKey
XFDUHJPVQKIXHO-UHFFFAOYSA-N
Summenformel
C7H7NO2
Durchschnittliche Molmasse
137,14 g/mol
Monoisotopische Masse
137,04767847

Namen und Bezeichner

Bevorzugter Name
3-Aminobenzoic Acid
IUPAC
3-aminobenzoic acid
Lokaler Name
3-Aminobenzoesure
Englischer Name
3-Aminobenzoic acid
Summenformel
C7H7NO2
Molmasse
137.14

Namen und Synonyme

3-AMINOBENZOIC ACID99-05-8m-Aminobenzoic acidm-CarboxyanilineBenzoic acid, 3-amino-3-CarboxyanilineMABAG2X3B3O37UNSC-15012DTXSID3059183CHEBI:42682meta-aminobenzoic acid
Weitere Namen anzeigen
3-aminobenzoicMETA AMINO BENZOIC ACID3-Abz-OHH-3-ABZ-OHH-M-ABZ-OHBenzaminicacid
RefChem:92961DTXCID8049092202-724-4Benzoic acid, m-amino-Aniline-3-carboxylic acidMFCD00007795Mesalazine EP Impurity Dm-Aminobenzoesaeure

Datenbank-Bezeichner

CAS
99-05-8
PubChem CID
7419
DTXSID
DTXSID3059183
ChEMBL
CHEMBL307782
ChEBI
CHEBI:42682
UNII
G2X3B3O37U
EC Number
202-724-4
Nikkaji
J43.331D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,1
Polarare Oberfläche (TPSA)
63,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

LogP0.65
Solubility · 2 Einträge

5.9 mg/mL at 15 °C

>20.6 [ug/mL] (The mean of the results at pH 7.4)

Melting Point173 °C
Vapor Pressure0.000278 [mmHg]
Physical Description · 2 Einträge

Solid; [Merck Index]

Solid

Ionization Efficiency · 6 Einträge

Positive

3.25

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Physikochemische Eigenschaften

Schmelzpunkt
178 · 178-180 °C(lit.)
Siedepunkt
251.96 °C · 251.96°C (rough estimate)
Dichte
1 · 1,51 g/cm3
Brechungsindex
1.5323 · 1.5323 (estimate)
Flammpunkt
150 °C · 150 °C
storage temp.
Keep in dark place,Inert atmosphere,Room temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (78.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 52 reports by companies from 9 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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzoic acid, 3-amino-

Status: Active Update: 07-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22177

Benzoic acid, 3-amino-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryMay cause irritation; May induce methemoglobinemia; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (78.8%)；Skin Irrit. 2 (98.1%)；Eye Irrit. 2 (98.1%)；STOT SE 3 (96.2%)

Toxikologische Informationen

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Benzoic acid, 3-amino-

Status: Active Update: 07-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22177

Benzoic acid, 3-amino-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
29224995
RTECS-Nr.
DG1225000
risk_code
22-36/37/38
hazard_code
Xn,Xi

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 3-amino-: ACTIVE

Anwendungen

Verwenden3-Aminobenzoic acid is used as an intermediate for dyes, pesticides and other organic synthesis.

Darstellung

synthetische3-Aminobenzoic acid is prepared by the reduction of 3-nitrobenzoic acid and used in dye syntheses. Its derivative N,N-dimethyl-3- aminobenzoic acid is also used in the production of dyes.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京海步医药科技有限公司67886402 15600038801 · [email protected]

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