Thiocyanic acid,2-(2-naphthalenyl)-2-oxoethyl ester

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Names

[ CAS No. ]:
19339-62-9

[ Name ]:
Thiocyanic acid,2-(2-naphthalenyl)-2-oxoethyl ester

[Synonym ]:
1-[2]naphthyl-2-thiocyanato-ethanone
Thiocyanic Acid 2-(2-Naphthalenyl)-2-Oxoethyl Ester
1-(naphthalene-2-yl)-2-thiocyanatoethanone
Thiocyanic acid,2-naphthoylmethyl ester
1-[2]Naphthyl-2-thiocyanato-aethanon
naphthyloxoethylthiocyanate
2-Naphthoylmethyl thiocyanate
2-Naphth-2-yl-2-oxoethyl thiocyanate
2-(2-naphthyl)-2-oxoethyl thiocyanate
1-(naphthalen-6-yl)-2-thiocyanatoethanone

Chemical & Physical Properties

[ Density]:
1.27g/cm3

[ Boiling Point ]:
434.3ºC at 760mmHg

[ Melting Point ]:
107-109ºC

[ Molecular Formula ]:
C13H9NOS

[ Molecular Weight ]:
227.28200

[ Flash Point ]:
216.4ºC

[ Exact Mass ]:
227.04000

[ PSA ]:
66.16000

[ LogP ]:
3.23678

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XL1600000
CHEMICAL NAME :
Thiocyanic acid, 2-naphthoylmethyl ester
CAS REGISTRY NUMBER :
19339-62-9
BEILSTEIN REFERENCE NO. :
2645976
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H9-N-O-S
MOLECULAR WEIGHT :
227.29
WISWESSER LINE NOTATION :
L66J CV1SCN

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#04553

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Bromo-1-(2-naphthyl)ethanone
  • 2-Acetonaphthone
  • Potassium thiocyanate

DownStream

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • 1-(3-Bromo-4-chlorophenyl)-2,2-dichloroethanol
  • 1-Bromo-3-ethoxy-2-fluoro-5-methylbenzene
  • 1-Bromo-3-(difluoromethoxy)-2-fluoro-5-methylbenzene
  • 1-{2-[2-cyclopropyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetamido]ethyl}-1H-imidazole-4-carboxylic acid
  • tert-Butyl 6-(3-(tert-butyl)-4-hydroxyphenyl)-3-methyl-3,4-dihydropyridine-1(2H)-carboxylate
  • 3-{[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]methyl}-1-methyl-1H-pyrazole-5-carboxylic acid
  • 3-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylpropanamido]methyl}-1-methyl-1H-pyrazole-5-carboxylic acid
  • 3-[(3R)-N-tert-butyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpentanamido]propanoic acid
  • 6-[(3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpentanamido]-4-methylhexanoic acid
  • 6-(5-Methylpiperidin-2-yl)-3,4-dihydroquinolin-2(1H)-one
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