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HCID 11080Erstellt: 26. Oktober 2026

Isothiocyanatonaphthalin

isothiocyanatonaphthalene

https://huagongshe.com/de/chemical/11080

Molekülstruktur von Isothiocyanatonaphthalin

Identifikatoren & physikalische Daten

CAS No.29962-76-3
SummenformelC11H7NS
Durchschnittliche Molmasse185,25 g/mol
Monoisotopische Masse185,02992022 g/mol
SMILESS=C=Nc1cccc2ccccc12
InChIKeyJBDOSUUXMYMWQH-UHFFFAOYSA-N
PubChem CID11080
ChEMBLCHEMBL1381098
ChEBICHEBI:35455
EC No.208-990-8
DTXSIDDTXSID8025703
Lokaler NameIsothiocyanatonaphthalin

Chemische & physikalische Eigenschaften

XLogP4,3
Polarare Oberfläche (TPSA)44,5
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome13
Formalladung0
Komplexität220
StoffklassenNitrogen Compounds -> Isothiocyanates
LogP (Verteilungskoeffizient)4.34
Dichte1.81 (NTP, 1992) - Denser than waterwill sink
Löslichkeitless than 1 mg/mL at 68 °F (NTP, 1992)
Schmelzpunkt136 °F (NTP, 1992)
Dampfdruck0.000132 [mmHg]
Physical DescriptionAlpha-naphthylisothiocyanate appears as odorless white needles or powder. Tasteless. (NTP, 1992)White nearly odorless solid[Merck Index] Slightly yellow odorless powder[Acros Organics MSDS]

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P233, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
DOT-KennzeichnungPoison
BrandgefahrenFlash point data for this material is not available, but it is probably combustible. (NTP, 1992)
GesundheitsgefahrenSYMPTOMS: This material can cause dermatitis, chills, fever, and kidney injury.
GefahrenübersichtCauses abnormal liver function tests, cholestatic jaundice, and hepatitis in acute oral studies of rats[RTECS] A hepatotoxin[Merck Index] Slowly hydrolyzed by water[CAMEO] May cause liver and kidney injury[NTP] May cause irritationHarmful by ingestionMay cause liver injury[Acros Organics MSDS] See Phenyl isothiocyanate.
Reaktive GruppeIsocyanates and Isothiocyanates
Reactivity AlertsWater-Reactive
Reactivity ProfileIsocyanates and thioisocyanates, such as ALPHA-NAPHTHYLISOTHIOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
Air and Water ReactionsThis chemical is moisture sensitive. (NTP, 1992). Undergoes slow hydrolysis. Insoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
BrandbekämpfungFires involving this material can be controlled using a CO2, foam, and/or Halon extinguisher. (NTP, 1992)
Erste HilfeEYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Freisetung ohne BrandSMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Unerwünschte WirkungenOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Drug Induced Liver InjuryDrug-Induced Liver Injury Severity and Toxicity (DILIst)1-naphthylisothiocyanateDILI PositiveDOI:10.1016/j.drudis.2019.09.022