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2-Benzothiazolamine
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Name

2-Benzothiazolamine

 EINECS 205-268-4
CAS No. 136-95-8 Density 1.383 g/cm3
PSA 67.15000 LogP 2.45970
Solubility <0.1 g/100 mL at 19℃ Melting Point 126-129 °C(lit.)
Formula C7H6N2S Boiling Point 307.5 °C at 760 mmHg
Molecular Weight 150.204 Flash Point 139.8 °C
Transport Information UN 2811 6.1/PG 3 Appearance Odorless gray to white powder
Safety 26 Risk Codes 22-36
Molecular Structure Molecular Structure of 136-95-8 (2-Benzothiazolamine) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

Benzothiazoline,2-imino- (4CI);1,3-Benzothiazol-2-ylamine;2-Aminobenzo[d]thiazole;2-Iminobenzothiazoline;ABT;Benzo[d]thiazol-2-amine;NSC 4670;SKA 1;

Article Data 180

2-Benzothiazolamine Synthetic route

108-94-1

cyclohexanone

17356-08-0

thiourea

136-95-8

2-amino-benzthiazole

Conditions
ConditionsYield
With dihydrogen peroxide; iodine; toluene-4-sulfonic acid In acetonitrile at 75℃; for 24h;100%
With iodine; oxygen; toluene-4-sulfonic acid In dimethyl sulfoxide at 75℃; under 760.051 Torr; for 24h; Solvent; Reagent/catalyst;84%
615-20-3

2-chlorobenzo[d][1,3]thiazole

136-95-8

2-amino-benzthiazole

Conditions
ConditionsYield
With 2-(di-1-adamantylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1,1'-biphenyl; C58H78NO4PPdS; ammonia; sodium t-butanolate In 1,4-dioxane at 20℃; Inert atmosphere;96%
With 5 wt% ruthenium/carbon; formamide; lithium tert-butoxide at 80℃; for 8h;84%
With ammonia at 150 - 160℃;
103-85-5

monophenylthiourea

136-95-8

2-amino-benzthiazole

Conditions
ConditionsYield
With thionyl chloride at 50 - 55℃; for 4h;95.6%
With bromine; acetic acid at 0 - 20℃; for 12h;80%
Stage #1: monophenylthiourea With bromine In chloroform at 0 - 5℃; Reflux;
Stage #2: With ammonia In water		75%
108-86-1

bromobenzene

2-iodophenylisothiourea

A

136-95-8

2-amino-benzthiazole

B

1843-21-6

N-phenyl-2-benzothiazolamine

Conditions
ConditionsYield
With 1,10-Phenanthroline; copper(II) acetate monohydrate; caesium carbonate In dimethyl sulfoxide Heating;A 95%
B n/a
With 1,10-Phenanthroline; cobalt(II) sulfate monohydrate; caesium carbonate In dimethyl sulfoxide at 100℃; for 20h;
103-85-5

phenyl-carbamimidothioic acid

136-95-8

2-amino-benzthiazole

Conditions
ConditionsYield
In isopropyl alcohol at 45℃; for 1.33333h; Temperature;93%
23505-64-8

2-nitrobenzothiazole

136-95-8

2-amino-benzthiazole

Conditions
ConditionsYield
With triethylamine In water at 80℃; for 6h; Inert atmosphere; Green chemistry; chemoselective reaction;92%
333-20-0

potassium thioacyanate

62-53-3

aniline

136-95-8

2-amino-benzthiazole

Conditions
ConditionsYield
With bromine; acetic acid at 20℃; for 10h;91%
Stage #1: potassium thioacyanate; aniline With acetic acid at 5℃; for 0.5h;
Stage #2: With bromine; acetic acid at 0 - 20℃;		91%
With sodium iodide dichloride at 70℃; for 3h;87%
1147550-11-5

ammonium thiocyanate

62-53-3

aniline

136-95-8

2-amino-benzthiazole

Conditions
ConditionsYield
With tris(2,2'-bipyridyl)ruthenium dichloride In acetonitrile at 20℃; for 10h; Catalytic behavior; Mechanism; Reagent/catalyst; Solvent; Irradiation;90%
With bromine; acetic acid at 10℃;88.5%
With bromine; acetic acid at 0 - 20℃;74%
615-43-0

2-iodophenylamine

17356-08-0

thiourea

136-95-8

2-amino-benzthiazole

Conditions
ConditionsYield
bis(triethylphosphine)nickel(II) chloride; sodium cyanoborohydride In N,N-dimethyl-formamide at 60℃; for 20h;87%
bis(triethylphosphine)nickel(II) chloride; sodium cyanoborohydride In N,N-dimethyl-formamide at 60℃; for 20h; Product distribution; other temp., other reaction time;87%
2516-40-7

2-bromo-1,3-benzothiazole

136-95-8

2-amino-benzthiazole

Conditions
ConditionsYield
With ammonium hydroxide; potassium phosphate; 1-(5,6,7,8-tetrahydroquinolin-8-yl)-2-methylpropan-1-one; copper(I) bromide In dimethyl sulfoxide at 110℃; for 24h; Inert atmosphere; Sealed tube;81%
With C24H32N2*ClCu; ammonia; potassium carbonate In 1-methyl-pyrrolidin-2-one; methanol at 90℃; under 5171.62 Torr; for 24h; Inert atmosphere;73%
Stage #1: 2-bromo-1,3-benzothiazole With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 0.1h; Inert atmosphere;
Stage #2: With C10H17NO In tetrahydrofuran; hexane; toluene at -30℃; for 2h; Inert atmosphere;		26%

2-Benzothiazolamine Chemical Properties

The Molecular formula of 2-Benzothiazolamine (136-95-8): C7H6N2S
The Molecular Weight of 2-Benzothiazolamine (136-95-8): 150.2 g/mol
Molecular Structure:
EINECS: 205-268-4
Melting point: 126-129 °C(lit.)
Boiling Point: 307.5 °C at 760 mmHg 
Flash Point: 139.8 °C 
Index of Refraction: 1.763 
Molar Refractivity: 44.8 cm3 
Molar Volume: 108.5 cm3 
Polarizability: 17.76 10-24 cm3 
Surface Tension: 70.2 dyne/cm 
Density: 1.383 g/cm3 
Enthalpy of Vaporization: 54.81 kJ/mol 
Vapour Pressure: 0.000723 mmHg at 25°C 
Water Solubility: <0.1 g/100 mL at 19 oC
Merck: 14,424
BRN: 116315
IUPAC Name: 1,3-benzothiazol-2-amine
Synonyms: 2(3H)-Benzothiazolimine;2-Iminobenzothiazoline;USAF EK-3941;USAF xr-27;2-amino-benzothiazol;2-Aminobenzthiazole;o-Aminobenzothiazole;u-Aminoben-zothiazole;

2-Benzothiazolamine Uses

 2-Benzothiazolamine (136-95-8) is used as a medicine, dyes intermediates.

2-Benzothiazolamine Toxicity Data With Reference

1.    

mma-sat 2500 µg/plate

     FCTOD7    Food and Chemical Toxicology. 23 (1985),695.
2.    

orl-mus LD50:>1 g/kg

     FSTEAI    Farmaco (Pavia); Scienza e Tecnica. 45 (1990),223.
3.    

ipr-mus LD50:200 mg/kg

     NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .
4.    

ivn-mus LD50:126 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 105 (1952),486.

2-Benzothiazolamine Consensus Reports

Reported in EPA TSCA Inventory.

2-Benzothiazolamine Safety Profile

Low toxicity by ingestion. Poison by intraperitoneal and intravenous routes. Mutation data reported. Dangerous; when heated to decomposition it emits highly toxic fumes of NOx and SOx.
The Hazard Codes of 2-Benzothiazolamine (136-95-8):  Xn,Xi
Hazard Note: Irritant
HS Code: 29342080
The Risk Statements information of 2-Benzothiazolamine (136-95-8):
22:  Harmful if swallowed 
36:  Irritating to the eyes 
The Safety Statements information of 2-Benzothiazolamine (136-95-8):
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 2
RTECS: DL1050000
Hazard Note: Irritant
HS Code: 29342080
Hazardous Substances Data: 136-95-8(Hazardous Substances Data)

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