CAS No.130-17-6,2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	130-17-6
Name:	2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
Article Data:	3

Formula:	C₁₄H₁₂N₂O₃S₂
Molecular Weight:	320.393
Synonyms:	p-(6-Methyl-7-sulfobenzothiazole)aniline;2-(p-Aminophenyl)-6-methyl-7-benzothiazolesulfonic acid;Dehydrothio-p-toluidinesulfonic acid;NSC 203387;NSC 44566;7-Benzothiazolesulfonicacid, 2-(p-aminophenyl)-6-methyl- (8CI);2-(4-Aminophenyl)-6-methyl-7-benzothiazolesulfonicacid;2-(4'-Aminophenyl)-6-methylbenzothiazole-7-sulfonic acid;
EINECS:	204-979-7
Density:	1.505 g/cm³
Melting Point:	300 °C
Solubility:	<0.1 g/100 mL at 22 °C in water
Appearance:	Brownish-yellow powder
Hazard Symbols:	Xn, C
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	129.90000
LogP:	4.76260

Synthetic route

6-methyl-2-<4-amino-phenyl>-benzthiazole: 6-methyl-2-<4-amino-phenyl>-benzthiazole

: 130-17-6
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid

Conditions

Conditions	Yield
With sulfuric acid

: 106-49-0
p-toluidine

: 130-17-6
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: iron; sodium sulfide / 8 h / 165 °C / Green chemistry; Industrial scale 2: sulfur trioxide / 2.2 h / 0 °C / Green chemistry; Industrial scale View Scheme

: 92-36-4
2-(4-aminophenyl)-6-methyl-1,3-benzothiazole

: 130-17-6
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid

Conditions

Conditions	Yield
With sulfur trioxide at 0℃; for 2.2h; Reagent/catalyst; Temperature; Green chemistry; Industrial scale;

: 130-17-6
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid

: 6-methyl-2-phenyl-benzothiazole-7-sulfonic acid

Conditions

Conditions	Yield
With sodium hydroxide; sulfuric acid; sodium nitrite Erwaermen des erhaltenen Diazonium-Salzes mit Aethanol;

: 130-17-6
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid

: C14H11N3O3S2

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; sodium nitrite In water Product distribution / selectivity;

: 130-17-6
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid

: 2-(4-diazophenyl)-6-methylbenzothiazole-7-sulfonic acid

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite In water

: 1375454-22-0
C24H22N8O12S4

: 130-17-6
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid

: C52H40N14O18S8

Conditions

Conditions	Yield
Stage #1: 2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid With hydrogenchloride; lithium hydroxide; sodium nitrite In water at 35 - 40℃; for 125h; pH=11; Stage #2: C24H22N8O12S4 With sodium carbonate In water at 20 - 40℃; for 1.81667h; pH=7.5 - 8.5; Stage #3: With sodium chloride In water at 40℃; for 0.5h;

: 122-20-3
triisopropanolamine

: C14H13NO5S

: 130-17-6
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid

: C28H22N4O8S3*2C9H21NO3

Conditions

Conditions	Yield
Stage #1: 2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid With hydrogenchloride; sodium hydroxide; sodium nitrite In water Cooling with ice; Stage #2: triisopropanolamine; C14H13NO5S In water

...Expand

: tri-isopropanolamine

: 2-cyanimino-4,6-dihydroxypyrimidine

: 130-17-6
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid

: C19H13N7O5S2*C9H21NO3

Conditions

Conditions	Yield
Stage #1: 2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid With hydrogenchloride; sodium hydroxide; sodium nitrite In water Cooling with ice; Stage #2: tri-isopropanolamine; 2-cyanimino-4,6-dihydroxypyrimidine In water

...Expand

: C15H16N2O5

: 130-17-6
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid

: C31H28N5O6S2(1-)*Na(1+)

Conditions

Conditions	Yield
Stage #1: 2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid With hydrogenchloride; sodium hydroxide; sodium nitrite In water at 0 - 10℃; for 1.5h; pH=7; Stage #2: C15H16N2O5 With sodium carbonate In water for 3h; pH=8 - 9;

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Chemistry

Molecular Formula: C₁₄H₁₂N₂O₃S₂
Molar mass: 320.39 g/mol
EINECS: 204-979-7
Density: 1.505 g/cm³
Index of Refraction: 1.714
Melting point: 300 °C
Water solubility: <0.1 g/100 mL at 22 ºC
Appearance: Brownish-yellow powder
Product categories of 2-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonic acid (CAS NO.130-17-6): Intermediates of Dyes and Pigments
Structure of 2-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonic acid (CAS NO.130-17-6):

XLogP3-AA: 2.5
H-Bond Donor: 2
H-Bond Acceptor: 5
IUPAC Name: 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
Canonical SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N)S(=O)(=O)O
InChI: InChI=1S/C14H12N2O3S2/c1-8-2-7-11-12(13(8)21(17,
18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)
InChIKey: KGZUHYIHYBDNLC-UHFFFAOYSA-N

Uses

2-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonic acid (CAS NO.130-17-6) has been used for intermediate of dyes and pigments.

Toxicity Data With Reference

ivn-mus LD50:178 mg/kg

CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#00718 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. See also SULFONATES. When heated to decomposition it emits very toxic fumes of SO_x and NO_x.

Hazard Codes: Harmful Xn Corrosive C
Risk Statements:
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection

Specification

2-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonic acid ,its cas register number is 130-17-6.It also can be called Dehydrothio-p-toluidinesulfonic acid ; Dehydrothiotoluidine sulfonic acid ; 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid ; 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl- and 7-Benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-methyl- .