4-(Dimethylamino)benzoic acid (HCID 12092)

Namen und Bezeichner

Bevorzugter Name: 4-(Dimethylamino)benzoic acid
IUPAC: 4-(dimethylamino)benzoic acid
Lokaler Name: 4-Dimethylaminobenzoesure
Englischer Name: 4-Dimethylaminobenzoic acid
Summenformel: C9H11NO2
Molmasse: 165.19

Namen und Synonyme

4-DIMETHYLAMINOBENZOIC ACID4-(Dimethylamino)benzoic acid619-84-1Benzoic acid, 4-(dimethylamino)-N,N-Dimethyl-p-aminobenzoic acidN,N-Dimethyl-4-aminobenzoic acidBenzoic acid, p-(dimethylamino)-p-Dimethylaminobenzoic acidp-N,N-(Dimethylamino)benzoic acidp-Dimethylamino benzoic acidD1MA908EV0NSC-16596

Weitere Namen anzeigen

4-Diaminomethylbenzoic acidLR-78Solarchem OAKOS BBS-00003737RARECHEM AL BO 0056-Dimethylaminobenzoicacidp-(dimethylamino)-benzoicaci4-(dimethylamino)-benzoicaci

DTXSID70607084EDMABRefChem:515966para-dimethylaminobenzoic acidDTXCID0043181210-615-8p-(Dimethylamino)benzoic acidMFCD00002537

Datenbank-Bezeichner

CAS: 619-84-1
PubChem CID: 12092
DTXSID: DTXSID7060708
ChEMBL: CHEMBL112322
UNII: D1MA908EV0
EC Number: 210-615-8
Nikkaji: J26.944A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 160

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Vapor Pressure0.000625 [mmHg]

Physical DescriptionSolid; [Merck Index] Off-white odorless powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 241 · 241-243 °C (dec.)(lit.)
Siedepunkt: 117 · 117-118 C
Dichte: 1 · 1,04 g/cm
Brechungsindex: 1 · 1,3715
Flammpunkt: 170 °C · 170 °C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder
pka: 6.03 · 6.03, 11.49(at 25℃)
Farbe: White, beige to grayish green
Wasserlöslichkeit: Insoluble in water.
Merck: 14 · 14,3232
BRN: 386867 · 386867
Stabilität: Stable. Incompatible with strong oxidizing agents.
Major Application: peptide synthesis
InChI: 1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
InChIKey: YDIYEOMDOWUDTJ-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)C(O)=O
CAS Datenbank: 619 · 619-84-1(CAS DataBase Reference)
NIST chemische Informationen: 4 · Benzoic acid, 4-(dimethylamino)-(619-84-1)
EPA chemische Informationen: 4 · Benzoic acid, 4-(dimethylamino)- (619-84-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 70% (105 of 150) of all reports.

Warning

H315 (30%): 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 150 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 09-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30830

Benzoic acid, 4-(dimethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] A mild skin irritant; [Alfa Aesar MSDS] See Padimate O.

Hazard Classes and CategoriesSkin Irrit. 2 (30%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29224995
RTECS-Nr.: DG8735000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

UsesEsters are used as sunscreens; [Merck Index]

General Manufacturing InformationBenzoic acid, 4-(dimethylamino)-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden4-Dimethylaminobenzoic acid a substituted benzoic acid that acts as an inhibitor of ultraviolet mediated damage to skin. It is a biotransformation product of 2-ethylhexyl 4- (N,N-dimethylaminobenzo)benzoate(EDP), a widely used UV filters in sunscreen cosmetics and other cosmetic products.