2-Naphthylisocyanat

2-Naphthyl isocyanate

HCID 16718CAS 2243-54-1

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Grundinformationen

Standard-SMILES: O=C=Nc1ccc2ccccc2c1
InChIKey: XIXJQNFTNSQTBT-UHFFFAOYSA-N
Summenformel: C11H7NO
Durchschnittliche Molmasse: 169,18 g/mol
Monoisotopische Masse: 169,05276385

Namen und Bezeichner

Bevorzugter Name: 2-Naphthyl isocyanate
IUPAC: 2-isocyanatonaphthalene
Lokaler Name: 2-Naphthylisocyanat
Englischer Name: 2-Naphthyl isocyanate
Summenformel: C11H7NO
Molmasse: 169.18

Namen und Synonyme

2-Naphthyl isocyanate2-Isocyanatonaphthalene2243-54-12-NaphthylisocyanateNAPHTHALENE, 2-ISOCYANATO-9ZE6124VOINSC-5529BETA-NAPHTHYL ISOCYANATEDTXSID00176956RefChem:88646DTXCID0099447218-815-7

Weitere Namen anzeigen

β-Naphthyl isocyanate2-Naphthyl Isocyanate ,97%

beta-NaphthylisocyanateMFCD00014319.beta.-Naphthyl isocyanatenaphthalen-2-isocyanate2-naphthalenyl isocyanate2-isocyanato-naphthalene2-naphtyl isocyanate2-isocyanato-naphthalen

Datenbank-Bezeichner

CAS: 2243-54-1
PubChem CID: 16718
DTXSID: DTXSID00176956
UNII: 9ZE6124VOI
EC Number: 218-815-7
Nikkaji: J95.523J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 29,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 220

Physikochemische Eigenschaften

Schmelzpunkt: 53 · 53-56 °C (lit.)
Siedepunkt: 83 °C/0.2 · 83 °C/0.2 mmHg (lit.)
Dichte: 1.1616 · 1.1616 (rough estimate)
Brechungsindex: 1.49 · 1.4900 (estimate)
Aggregatzustand: Chunks
Farbe: White
Wasserlöslichkeit: It hydrolyzes in water.
InChI: 1S/C11H7NO/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H
InChIKey: XIXJQNFTNSQTBT-UHFFFAOYSA-N
SMILES: O=C=Nc1ccc2ccccc2c1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (90.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (13.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 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

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)；Acute Tox. 4 (90.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (90.9%)；Resp. Sens. 1 (13.6%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3335
hs_code: 29291090
RTECS-Nr.: QJ7950000
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-27-36/37/39-45
hazard_class: 6.1
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3