2,4-dinitrophenyl thiocyanate

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Names

[ 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
Methyl(3-{[(3-methylfuran-2-yl)methyl]sulfanyl}propyl)amine
2,3-Difluoro-6-(sulfanylmethyl)phenol
2,2-Difluoro-2-{[(3-methylfuran-2-yl)methyl]sulfanyl}acetic acid
6-bromo-3-sulfanyl-2,3-dihydro-1H-indol-2-one
[5-(4-Fluorophenyl)furan-2-yl]methanethiol
2-{[(4-Chlorobut-2-en-1-yl)sulfanyl]methyl}-3-methylfuran
(3S)-3-amino-3-(1,5-dimethyl-1H-imidazol-2-yl)propanamide
methyl (3S)-3-amino-3-(3-methyl-1,2-thiazol-5-yl)propanoate
N-[[2-(Acetyloxy)-5-methylphenyl]sulfonyl]acetamide
2-Methyl-2-(3-methylfuran-2-yl)propanal

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