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HCID 11080作成日:2026年10月27日

1-Naphthyl Isothiocyanate

isothiocyanatonaphthalene

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

1-Naphthyl Isothiocyanate の分子構造式

識別子と物理属性

CAS No.29962-76-3
分子式C11H7NS
平均分子量185.25 g/mol
単同位体質量185.02992022 g/mol
SMILESS=C=Nc1cccc2ccccc12
InChIKeyJBDOSUUXMYMWQH-UHFFFAOYSA-N
PubChem CID11080
ChEMBLCHEMBL1381098
ChEBICHEBI:35455
EC No.208-990-8
DTXSIDDTXSID8025703

化学・物理的性質

XLogP4.3
極性表面積44.5
水素結合供与体数0
水素結合受容体数2
回転可能結合数1
重原子数13
形式電荷0
複雑度220
物質分類Nitrogen Compounds -> Isothiocyanates
LogP(分配係数)4.34
密度1.81 (NTP, 1992) - Denser than waterwill sink
溶解度less than 1 mg/mL at 68 °F (NTP, 1992)
融点136 °F (NTP, 1992)
蒸気圧0.000132 [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]

安全性と法規制

GHS 分類DangerH301 (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.
輸送ラベル(DOT)Poison
火災危険Flash point data for this material is not available, but it is probably combustible. (NTP, 1992)
健康有害性SYMPTOMS: This material can cause dermatitis, chills, fever, and kidney injury.
有害性の概要Causes 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.
反応性グループIsocyanates 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 Categories
Acute Tox. 3 (100%)
消火Fires involving this material can be controlled using a CO2, foam, and/or Halon extinguisher. (NTP, 1992)
応急処置EYES: 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.
非火災時の漏出対応SMALL 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)
有害作用Occupational 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