CAS No.136-95-8,2-Benzothiazolamine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	136-95-8
Name:	2-Benzothiazolamine
Article Data:	180

Formula:	C₇H₆N₂S
Molecular Weight:	150.204
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;
EINECS:	205-268-4
Density:	1.383 g/cm³
Melting Point:	126-129 °C(lit.)
Boiling Point:	307.5 °C at 760 mmHg
Flash Point:	139.8 °C
Solubility:	<0.1 g/100 mL at 19℃
Appearance:	Odorless gray to white powder
Hazard Symbols:	Xn,Xi
Risk Codes:	22-36
Safety:	26
Transport Information:	UN 2811 6.1/PG 3
PSA:	67.15000
LogP:	2.45970

Synthetic route

: 108-94-1
cyclohexanone

: 17356-08-0
thiourea

: 136-95-8
2-amino-benzthiazole

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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;

...Expand

: 103-85-5
phenyl-carbamimidothioic acid

: 136-95-8
2-amino-benzthiazole

Conditions

Conditions	Yield
In isopropyl alcohol at 45℃; for 1.33333h; Temperature;	93%

: 23505-64-8
2-nitrobenzothiazole

: 136-95-8
2-amino-benzthiazole

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

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Chemistry

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;

Uses

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

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 NO_x and SO_x.
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)