4-amino phenyl thiocyanate

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Names

[ Name ]:
4-amino phenyl thiocyanate

[Synonym ]:
Thiocyanic acid, 4-aminophenyl ester (9CI)
Rhodan
2-thiocyanatoaniline
Rodan
Thiocyanic acid, 4-aminophenyl ester
p-Thiocyano-aniline
p-Rhodananiline
p-Thiocyanatoaniline
4-Thiocyanoaniline
EINECS 233-118-8
Rodan [Czech]
Anilinrhodanil
p-aminophenyl thiocyanate
4-Aminophenyl thiocyanate
Aniline,p-thiocyanato
4-thiocyanatobenzamine
4-thiocyanatobenzenamine
4-amino phenyl thiocyanate

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
314.5±25.0 °C at 760 mmHg

[ Melting Point ]:
54-55ºC

[ Molecular Formula ]:
C₇H₆N₂S

[ Molecular Weight ]:
150.201

[ Flash Point ]:
144.0±23.2 °C

[ Exact Mass ]:
150.025162

[ PSA ]:
75.11000

[ LogP ]:
1.16

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.651

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XK7700000

CHEMICAL NAME :: Thiocyanic acid, p-aminophenyl ester

CAS REGISTRY NUMBER :: 2987-46-4

BEILSTEIN REFERENCE NO. :: 1365182

LAST UPDATED :: 199612

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C7-H6-N2-S

MOLECULAR WEIGHT :: 150.21

WISWESSER LINE NOTATION :: ZR DSCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1038,1986

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1038,1986 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 240 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 130 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 30ZDA9 "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971 Volume(issue)/page/year: -,260,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 160 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 28,313,1974

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 20 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 150,257,1930

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 150,257,1930

Safety Information

[ Hazard Codes ]:
T+

[ RIDADR ]:
UN 2811

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Potassium thiocyanate
4-Aminothiophenol
2-cyano-4-chloro-5-methoxypyridazin-3(2H)-one
2-cyano-4,5-dichloropyridazin-3(2H)-one
Sodium thiocyanate
Thiocyanic acid 4-nitrophenyl ester
Lead (II) thiocyanate
CUPRIC THIOCYANATE

DownStream

Disulfide,bis(4-broMophenyl)
(4-thiocyanatophenyl) thiocyanate
1,3-bis(4-thiocyanatophenyl)thiourea
4-Aminophenyl disulfide
1-Piperidinecarbonitrile
1,1'-carbonimidoyl-bis-piperidine
4-Aminothiophenol
2-amino-6-thiocyanobenzothiazole
2-Nitro-4-thiocyanatoaniline
4-Mercaptophenol

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

[4-amino-3-(pyridine-2-carbonyl)phenyl] thiocyanate
4-Amino-2-chloro-5-(4-iodophenoxy)phenyl thiocyanate
4-Amino-2-fluoro-5-(p-fluorophenoxy)phenyl thiocyanate
[4-amino-3,5-di(propan-2-yl)phenyl] thiocyanate
4-Amino-2-chloro-5-(2,4,5-trichlorophenoxy)phenyl thiocyanate
(4-amino-phenyl)-thiourea
6-Methyl-2-phenyl-4-(trifluoromethyl)-3(2H)-pyridazinone
2-Methyl-5-(pyridin-4-yl)-1H-pyrrole-3-carbaldehyde
(1R,5S)-2-[(1S)-1-phenylethyl]-6-oxa-2-azabicyclo[3.2.1]octan-7-one
2-(Dimethylamino)-5-nitrobenzenesulfonamide
2-(Methylamino)-5-nitrobenzene-1-sulfonamide
2,2'-(1,3-Phenylene)bis(2-oxoacetaldehyde)
1,2,3-Benzothiadiazole, 2,3-dihydro-2,3-dimethyl-6-nitro-, 1,1-dioxide
3-[3,5-Bis(benzyloxy)phenyl]-2-oxopropanoic acid
Methylcis-3-(bromomethyl)-3-hydroxycyclobutane-1-carboxylate
8,8-dimethyl-2-oxo-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl acetate

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