1-naphthyl isothiocyanate

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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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiophosgene
  • 1-Aminonaphthalene
  • Naphtox
  • Naphthalene,1-isocyano- (9CI)
  • (naphth-1-ylamino)phenoxymethane-1-thione
  • Carbon disulphide
  • 1-Naphthalenedithiocarbamic acid methyl ester
  • Phenyl chlorothionocarbonate
  • O,O-Di-2-pyridinyl carbonothioate

DownStream

  • Naphtho[1,2-d]thiazol-2(1H)-one (9CI)
  • 5H-Tetrazole-5-thione,1,2-dihydro-1-(1-naphthalenyl)-
  • 1-amino-3-naphthalen-1-yl-thiourea
  • 3-naphthalen-1-yl-2-sulfanylidene-1H-quinazolin-4-one
  • 1-anilino-3-naphthalen-1-yl-thiourea
  • 1-naphthalen-1-ylimidazolidine-2-thione
  • Thiourea,N-1-naphthalenyl-N'-phenyl-
  • 3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
  • Naphtox
  • N-(1-Naphthyl)acetamide

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...


More Articles

Related Compounds

  • 1-naphthyl isothiocyanate
  • 4-nitro-1-naphthyl isothiocyanate
  • 4-chloro-1-naphthyl isothiocyanate
  • 4-dimethylamino-1-naphthyl isothiocyanate
  • 1,2,3,4-Tetrahydro-4-oxo-1-naphthyl isothiocyanate
  • 5,6,7,8-tetrahydro-[1]naphthyl isothiocyanate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine