2,4-dinitrophenyl thiocyanate

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Names

[ CAS No. ]:
1594-56-5

[ Name ]:
2,4-dinitrophenyl thiocyanate

[Synonym ]:
EINECS 216-477-5
MFCD00047702
(2,4-dinitrophenyl) thiocyanate
2,4-Dinitrophenyl Thiocyanate
2,4-Dinitrophenylrhodanide
Thiocyanic Acid 2,4-Dinitrophenyl Ester

Chemical & Physical Properties

[ Density]:
1.62g/cm3

[ Boiling Point ]:
368.4ºC at 760 mmHg

[ Melting Point ]:
138-140°C

[ Molecular Formula ]:
C7H3N3O4S

[ Molecular Weight ]:
225.18100

[ Exact Mass ]:
224.98400

[ PSA ]:
140.73000

[ LogP ]:
3.12258

[ Vapour Pressure ]:
1.28E-05mmHg at 25°C

[ Index of Refraction ]:
1.666

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XK9450000
CHEMICAL NAME :
Thiocyanic acid, 2,4-dinitrophenyl ester
CAS REGISTRY NUMBER :
1594-56-5
BEILSTEIN REFERENCE NO. :
1983292
LAST UPDATED :
199710
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C7-H3-N3-O4-S
MOLECULAR WEIGHT :
225.19
WISWESSER LINE NOTATION :
WNR CNW DSCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
30 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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2750 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 :
51 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 :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1650 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 :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
10 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 78,177,1980 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-HUNGARY:TWA 2 mg/m3;STEL 10 mg/m3 JAN 1993

Safety Information

[ Risk Phrases ]:
R32;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RTECS ]:
XK9450000

[ Packaging Group ]:
III

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Sodium thiocyanate
  • 2,4-Dinitrochlorobenzene
  • 2,4-Dinitroiodobenzene
  • 1-Bromo-2,4-dinitrobenzene
  • 1-Fluoro-2,4-dinitrobenzene
  • Thiocyanic acid 4-nitrophenyl ester
  • Potassium thiocyanate
  • 2,4-Dinitroaniline
  • Phenyl thiocyanate
  • 4-iodo-phenyl thiocyanate

DownStream

  • o-nitrophenyl disulfide
  • Disulfide,bis(2,4-dinitrophenyl)
  • 2,4-Dinitrodiphenylamine
  • Benzene,1,1'-thiobis[2,4-dinitro- (9CI)
  • Phenylthiocarbamide
  • 5-Nitrobenzo[d]thiazol-2-amine
  • Carbon dioxide
  • 2,4-dinitrobenzenethiol
  • Ammonia
  • 5-(2,4-dinitrophenyl)sulfanyl-3-(4-nitrophenyl)-1,2,4-oxadiazole

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

  • 2,4-DINITROPHENYL THIOCYANATE
  • (3-amino-2,4-dinitrophenyl) thiocyanate
  • (2,4-dinitrophenyl)methyl thiocyanate
  • 2,4-dinitrophenyl 4-cyanobenzoate
  • 2,4-dinitrophenyl 4-nitrobenzenesulfonate
  • (2,4-dinitrophenyl)bis(triphenyl-l5-phosphanyl)palladium(IV) iodide
  • 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)-
  • 2-{1-[(2-Methyl-1,3-oxazol-4-yl)methyl]-octahydropyrrolo[2,3-c]pyrrol-5-yl}-5-(trifluoromethyl)pyridine
  • benzyl N-(3-hydroxy-2-{[4-(trifluoromethyl)phenyl]methyl}propyl)carbamate
  • (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