1-Naphthyl Isothiocyanate｜Huagongshe

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HCID 11080생성일: 2026년 10월 27일

이소티오시아나토나프탈렌

이소티오시아나토나프탈렌 · isothiocyanatonaphthalene

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

이소티오시아나토나프탈렌 분자 구조식

식별자 및 물리적 특성

CAS No.	29962-76-3
분자식	C11H7NS
평균 분자량	185.25 g/mol
단동위원소 질량	185.02992022 g/mol
SMILES	S=C=Nc1cccc2ccccc12
InChIKey	JBDOSUUXMYMWQH-UHFFFAOYSA-N
PubChem CID	11080
ChEMBL	CHEMBL1381098
ChEBI	CHEBI:35455
EC No.	208-990-8
DTXSID	DTXSID8025703
현지명	이소티오시아나토나프탈렌

화학 및 물리적 성질

XLogP	4.3
극성 표면적	44.5
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	13
형식 전하	0
복잡도	220
물질 분류	Nitrogen Compounds -> Isothiocyanates
LogP(분배 계수)	4.34
밀도	1.81 (NTP, 1992) - Denser than waterwill sink
용해도	less than 1 mg/mL at 68 °F (NTP, 1992)
녹는점	136 °F (NTP, 1992)
증기압	0.000132 [mmHg]
Physical Description	Alpha-naphthylisothiocyanate appears as odorless white needles or powder. Tasteless. (NTP, 1992)White nearly odorless solid[Merck Index] Slightly yellow odorless powder[Acros Organics MSDS]

안전 및 규제

GHS 분류	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.
운송 라벨(DOT)	Poison
화재 위험	Flash point data for this material is not available, but it is probably combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: This material can cause dermatitis, chills, fever, and kidney injury.
유해성 요약	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.
반응성 그룹	Isocyanates and Isothiocyanates
Reactivity Alerts	Water-Reactive
Reactivity Profile	Isocyanates 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 Reactions	This chemical is moisture sensitive. (NTP, 1992). Undergoes slow hydrolysis. Insoluble in water.

응급 처치

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.

비화재 누출 대응

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.

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)