1-naphthyl isothiocyanate
Names
[ CAS No. ]:
551-06-4
[ Name ]:
1-naphthyl isothiocyanate
[Synonym ]:
EINECS 208-990-8
isothiocyanato-naphthalen
1-Naftylisothiokyanat
Naphthyl mustard oil
1-Isothiocyanatonaphthalene
ANIT
1-naphthyl isothiocyanate
1-NAPTHYL ISOTHIOCYANATE
1-Naphtyl isothiocyanate
1-Naphthyl senfoel
ANI
Naphthalene, 1-isothiocyanato-
Kesscocide
MFCD00003882
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
339.3±11.0 °C at 760 mmHg
[ Melting Point ]:
55.5-57 °C(lit.)
[ Molecular Formula ]:
C11H7NS
[ Molecular Weight ]:
185.245
[ Flash Point ]:
167.2±27.1 °C
[ Exact Mass ]:
185.029922
[ PSA ]:
44.45000
[ LogP ]:
4.47
[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C
[ Index of Refraction ]:
1.623
[ Stability ]:
Stable, but moisture sensitive. Incompatible with strong oxidizing agents.
[ Water Solubility ]:
insoluble
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NX9100000
- CHEMICAL NAME :
- Isothiocyanic acid, 1-naphthyl ester
- CAS REGISTRY NUMBER :
- 551-06-4
- BEILSTEIN REFERENCE NO. :
- 0637868
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C11-H7-N-S
- MOLECULAR WEIGHT :
- 185.25
- WISWESSER LINE NOTATION :
- L66J BNCS
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Liver - hepatitis (hepatocellular necrosis), zonal Liver - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 105 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 152 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 16800 mg/kg/32W-C
- TOXIC EFFECTS :
- Liver - jaundice, other or unclassified Liver - other changes Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - domestic
- DOSE/DURATION :
- 1300 mg/kg/13D-I
- TOXIC EFFECTS :
- Liver - hepatitis (hepatocellular necrosis), zonal Liver - other changes Related to Chronic Data - death
MUTATION DATA
- TYPE OF TEST :
- Unscheduled DNA synthesis
- TEST SYSTEM :
- Rodent - rat Liver
- DOSE/DURATION :
- 10 umol/L
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 3,11,1981
Safety Information
[ Symbol ]:
GHS06, GHS08
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H301-H312 + H332-H315-H319-H334-H335
[ Precautionary Statements ]:
P261-P280-P301 + P310-P305 + P351 + P338-P342 + P311
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
[ Hazard Codes ]:
T:Toxic;
[ Risk Phrases ]:
R23/24/25
[ Safety Phrases ]:
S22-S26-S36/37-S45-S24/25
[ RIDADR ]:
UN 2811 6.1/PG 3
[ WGK Germany ]:
3
[ RTECS ]:
NX9100000
[ Packaging Group ]:
II
[ Hazard Class ]:
6.1
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Articles
J. Chromatogr. A. 1422 , 60-72, (2015)
A new method for determining biogenic amines in fruit juices and alcoholic beverages is described involving reaction of biogenic amines with 1-naphthylisothiocyanate followed by extraction of 1-naphth...
All-trans-retinoic acid improves cholestasis in α-naphthylisothiocyanate-treated rats and Mdr2-/- mice.J. Pharmacol. Exp. Ther. 349(1) , 94-8, (2014)
Chronic cholestasis results in liver injury and eventually liver failure. Although ursodeoxycholic acid (UDCA) showed limited benefits in primary biliary cirrhosis, there is an urgent need to develop ...
Changes of pharmacokinetics of 6,7-dimethoxycoumarin in a rat model of alpha-naphthylisothiocyanate-induced experimental hepatic injury after Yinchenhao Decoction () treatment.Chin. J. Integr. Med. 18(11) , 831-6, (2012)
To study the changes of pharmacokinetics of 6,7-dimethoxycoumarin in a rat model of alpha-naphthylisothiocyanate (ANIT)-induced experimental hepatic injury after oral administration of Yinchenhao Deco...