1-naphthyl isothiocyanate

Modify Date: 2024-01-02 18:52:02

1-naphthyl isothiocyanate Structure
1-naphthyl isothiocyanate structure
Common Name 1-naphthyl isothiocyanate
CAS Number 551-06-4 Molecular Weight 185.245
Density 1.1±0.1 g/cm3 Boiling Point 339.3±11.0 °C at 760 mmHg
Molecular Formula C11H7NS Melting Point 55.5-57 °C(lit.)
MSDS Chinese USA Flash Point 167.2±27.1 °C
Symbol GHS06 GHS08
GHS06, GHS08
Signal Word Danger

 Names

Name 1-naphthyl isothiocyanate
Synonym More Synonyms

 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

 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
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

 Articles30

More Articles
Salting-out assisted liquid-liquid extraction for the determination of biogenic amines in fruit juices and alcoholic beverages after derivatization with 1-naphthylisothiocyanate and high performance liquid chromatography.

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...

 Synonyms

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