Phthalamidsure

Phthalamic acid

HCID 6957

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Grundinformationen

CAS: 88-97-1
Standard-SMILES: NC(=O)c1ccccc1C(=O)O
InChIKey: CYMRPDYINXWJFU-UHFFFAOYSA-N
Summenformel: C8H7NO3
Durchschnittliche Molmasse: 165,15 g/mol
Monoisotopische Masse: 165,04259309

Namen und Bezeichner

Bevorzugter Name: Phthalamic acid
IUPAC: 2-carbamoylbenzoic acid
Lokaler Name: Phthalamidsure
Englischer Name: PHTHALAMIC ACID
Summenformel: C8H7NO3
Molmasse: 165.15

Namen und Synonyme

2-carbamoylbenzoic acidPHTHALAMIC ACIDPhthalamidic acidBenzoic acid, 2-(aminocarbonyl)-UNII-V344H4PF3YV344H4PF3YNSC-5344EINECS 201-871-1AI3-26413DTXSID0058980CHEBI:50736RefChem:173983

Weitere Namen anzeigen

PTHALAMIC ACIDPhthalamicAcid>Phthalic monoamide2-CARBOXYBENZAMIDERARECHEM AL BO 0299Phthalamic acid 97%

DTXCID6048628CYMRPDYINXWJFU-UHFFFAOYSA-N88-97-1Phthalamide acidPhthalic acid monoamidePhthalic monoamideo-Carbamoylbenzoic acid2-(Aminocarbonyl)benzoic acid

Datenbank-Bezeichner

CAS: 88-97-1
PubChem CID: 6957
DTXSID: DTXSID0058980
ChEBI: CHEBI:50736
UNII: V344H4PF3Y
EC Number: 201-871-1
Nikkaji: J27.021K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 80,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 202

Physikochemische Eigenschaften

Schmelzpunkt: 140 · 140-143 °C(lit.)
Siedepunkt: 394.2 · 394.2±25.0 °C(Predicted)
Dichte: 1.368 · 1.368
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 3.75 · 3.75±0.10(Predicted)
Farbe: White to Off-White
BRN: 1868205 · 1868205
InChI: 1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKey: CYMRPDYINXWJFU-UHFFFAOYSA-N
SMILES: NC(=O)c1ccccc1C(O)=O
CAS Datenbank: 88 · 88-97-1(CAS DataBase Reference)
EPA chemische Informationen: 2 · Benzoic acid, 2-(aminocarbonyl)- (88-97-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 5 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.