Grundinformationen
- Standard-SMILES
NC(=O)Cc1cccc2ccccc12- InChIKey
XFNJVKMNNVCYEK-UHFFFAOYSA-N- Summenformel
- C12H11NO
- Durchschnittliche Molmasse
- 185,22 g/mol
- Monoisotopische Masse
- 185,08406397
Namen und Bezeichner
- Bevorzugter Name
- 1-Naphthaleneacetamide
- IUPAC
- 2-naphthalen-1-ylacetamide
- Lokaler Name
- 2-(1-Naphthyl)acetamid
- Englischer Name
- 1-Naphthaleneacetamide
- Summenformel
- C12H11NO
- Molmasse
- 185.22
Namen und Synonyme
1-NAPHTHALENEACETAMIDE86-86-21-Naphthylacetamide2-(1-Naphthyl)acetamideNaphthaleneacetamide2-(naphthalen-1-yl)acetamideFrufixAmid-ThinNAAmalpha-NaphthylacetamideDirigol NAmid-Thin W
Weitere Namen anzeigen
RootonedirigolnRosetoneNAI-DPACNAA Amide
alpha-NAA amidealpha-Naphthaleneacetamide1-Naphthylamine, N-acetyl-alpha-Naphthaleneacetic acid amideDTXSID302091411KAX3RJ28NSC-34862DTXCID30914
Datenbank-Bezeichner
- CAS
86-86-2- PubChem CID
- 6861
- DTXSID
DTXSID3020914- ChEMBL
CHEMBL3186653- ChEBI
CHEBI:81810- UNII
- 11KAX3RJ28
- EC Number
- 201-704-2
- Nikkaji
- J798F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 43,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 214
Experimentelle und physikochemische Eigenschaften
Solubility0.039 mg/mL at 40 °C
Melting Point184 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 180 · 180-183 °C (lit.)
- Siedepunkt
- 319.45 °C · 319.45°C (rough estimate)
- Dichte
- 1.0936 · 1.0936 (rough estimate)
- Brechungsindex
- 1.53 · 1.5300 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 16.1 · 16.10±0.40(Predicted)
- Farbe
- White to Off-White
- BRN
- 1945547 · 1945547
- Henry's Law Constant
- 9.8 · 9.8×107 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)
- InChIKey
- XFNJVKMNNVCYEK-UHFFFAOYSA-N
- SMILES
- NC(=O)Cc1cccc2ccccc12
- CAS Datenbank
- 86 · 86-86-2(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Naphthaleneacetamide(86-86-2)
- EPA chemische Informationen
- 1 · 1-Naphthaleneacetamide (86-86-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (27.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H361d (64.8%): Suspected of damaging the unborn child [Warning Reproductive toxicity]；H412 (67.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 162 reports by companies from 10 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
Commission Regulation (EC) No 33/2008
2008/941/EC, Reg. (EU) 2023/2592, Reg. (EU) No 2019/291, Reg. (EU) No 540/2011, Reg. (EU) No 786/2011
1-Naphthalenacetamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (99.4%)；Eye Dam. 1 (27.8%)；Repr. 2 (64.8%)；Aquatic Chronic 3 (67.3%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
5.1 [mg/m3]
56 [mg/m3]
330 [mg/m3]
Toxikologische Informationen
RAIS Toxicity Values
0.25
OPP
Regulatorische Informationen
Regulatory Information
Commission Regulation (EC) No 33/2008
2008/941/EC, Reg. (EU) 2023/2592, Reg. (EU) No 2019/291, Reg. (EU) No 540/2011, Reg. (EU) No 786/2011
1-Naphthalenacetamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29242990
- RTECS-Nr.
- QJ0590000
- risk_code
- 22-41-34-11
- hazard_code
- Xn,C,F
- safety_code
- 26-39-24/25-45-36/37/39-16
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Repr. 2
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm；Extracellular
Verwendung und Herstellung
Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)
General Manufacturing Information1-Naphthaleneacetamide: ACTIVE
Anwendungen
Verwenden1-Naphthylacetamide (cas# 86-86-2) is a compound useful in organic synthesis.
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