1-Naphthaldehyd

1-Naphthaldehyde

HCID 6195CAS 30678-61-6
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Grundinformationen

Standard-SMILES
O=Cc1cccc2ccccc12
InChIKey
SQAINHDHICKHLX-UHFFFAOYSA-N
Summenformel
C11H8O
Durchschnittliche Molmasse
156,18 g/mol
Monoisotopische Masse
156,05751487

Namen und Bezeichner

Bevorzugter Name
1-Naphthaldehyde
IUPAC
naphthalene-1-carbaldehyde
Lokaler Name
1-Naphthaldehyd
Englischer Name
1-Naphthaldehyde
Summenformel
C11H8O
Molmasse
156.18

Namen und Synonyme

1-Naphthaldehyde66-77-3naphthalene-1-carbaldehyde1-Formylnaphthalenealpha-Naphthaldehyde1-Naphthylaldehydealpha-Naphthal1-NAPHTHALENECARBOXALDEHYDEalpha-Naphthylcarboxaldehydealpha-NaphthylaldehydeH3I0B5F8SXDTXSID5058775
Weitere Namen anzeigen
naphthalNaphthalene-1-carboxaldehyde
CHEBI:52367NSC-6106RefChem:434723DTXCID2044686200-633-4Naphthaldehydenaphthalene-1-aldehydeI-Napthaldehyde

Datenbank-Bezeichner

CAS
30678-61-6、66-77-3
PubChem CID
6195
DTXSID
DTXSID5058775
ChEMBL
CHEMBL3265260
ChEBI
CHEBI:52367
UNII
H3I0B5F8SX
EC Number
200-633-4
Nikkaji
J4.846A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,1
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Physical DescriptionYellow liquid with a pungent odor; [Alfa Aesar MSDS]
Kovats Retention Index · 3 Einträge

1467

249.26；257.4

2364

Physikochemische Eigenschaften

Schmelzpunkt
1 · 1-2 °C (lit.)
Siedepunkt
160 · 160-161 °C/15 mmHg (lit.)
Dichte
1.15 g/mL · 1.15 g/mL at 25 °C (lit.)
Dampfdichte
1 · >1 (vs air)
Brechungsindex
20 · n20/D 1.652(lit.)
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H290 (41.4%): May be corrosive to metals [Warning Corrosive to Metals]；H301 (42.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (56.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (42.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (41.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (11.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (41.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H412 (41.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P234, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 133 reports by companies from 12 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 · 2 Einträge

Chemical: 1-Naphthalenecarboxaldehyde

1-Naphthaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Causes somnolence and muscle weakness in oral lethal-dose studies of rats; Dermal LD50 (guinea pig) >20 mL/kg; [RTECS] A skin, respiratory tract, and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 2-Hydroxy-1-naphthaldehyde. See 2-Methylbenzaldehyde.

Hazard Classes and CategoriesMet. Corr. 1 (41.4%)；Acute Tox. 3 (42.1%)；Acute Tox. 4 (56.4%)；Acute Tox. 4 (42.9%)；Skin Corr. 1A (41.4%)；Skin Irrit. 2 (11.3%)；Eye Dam. 1 (41.4%)；Aquatic Chronic 3 (41.4%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: 1-Naphthalenecarboxaldehyde

1-Naphthaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
3082
hs_code
29122900
RTECS-Nr.
QJ0190000
risk_code
22-36/37/38

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites1-Naphtaldehyde has known human metabolites that include 1-Nahthalenethanol and 1-Naphthoic acid.；1-Naphtaldehyde is a known human metabolite of terbinafine.
Cellular LocationsMembrane

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing Information1-Naphthalenecarboxaldehyde: ACTIVE

Anwendungen

Verwenden1-Naphthaldehyde is used in the synthesis of single-crystalline homochiral porous metal-organic frameworks (MOFs). It is also a starting material for the Canizzaro reaction to produce 1-Naphthoic acid and 1-Naphthalenemethanol.

Vor- und 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A naphthaldehyde with a formyl group at position 1.

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