Isothiocyanic acid, 1,5-naphthylene ester

Modify Date: 2025-08-25 17:07:59

Isothiocyanic acid, 1,5-naphthylene ester Structure
Isothiocyanic acid, 1,5-naphthylene ester structure
Common Name Isothiocyanic acid, 1,5-naphthylene ester
CAS Number 73825-57-7 Molecular Weight 242.31900
Density 1.23g/cm3 Boiling Point 442.8ºC at 760 mmHg
Molecular Formula C12H6N2S2 Melting Point N/A
MSDS N/A Flash Point 239.5ºC

 Names

Name 1,5-diisothiocyanatonaphthalene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.23g/cm3
Boiling Point 442.8ºC at 760 mmHg
Molecular Formula C12H6N2S2
Molecular Weight 242.31900
Flash Point 239.5ºC
Exact Mass 241.99700
PSA 88.90000
LogP 4.30840
Index of Refraction 1.675
InChIKey GDZKOGLUMKYXSW-UHFFFAOYSA-N
SMILES S=C=Nc1cccc2c(N=C=S)cccc12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX9000000
CHEMICAL NAME :
Isothiocyanic acid, 1,5-naphthylene ester
CAS REGISTRY NUMBER :
73825-57-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H6-N2-S2
MOLECULAR WEIGHT :
242.32
WISWESSER LINE NOTATION :
L66J BNCS GNCS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02763

 Synonyms

Naphthalene,1,5-diisothiocyanato
Naphthalene,5-diisothiocyanato
WLN: L66J BNCS GNCS
ISOTHIOCYANIC ACID,1,5-NAPHTHYLENE ESTER
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