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CAS No.: | 130-17-6 |
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Name: | 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid |
Article Data: | 3 |
Molecular Structure: | |
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 |
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid
Conditions | Yield |
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With sulfuric acid |
Conditions | Yield |
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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 |
2-(4-aminophenyl)-6-methyl-1,3-benzothiazole
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid
Conditions | Yield |
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With sulfur trioxide at 0℃; for 2.2h; Reagent/catalyst; Temperature; Green chemistry; Industrial scale; |
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid
Conditions | Yield |
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With sodium hydroxide; sulfuric acid; sodium nitrite Erwaermen des erhaltenen Diazonium-Salzes mit Aethanol; |
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid
Conditions | Yield |
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With hydrogenchloride; sodium hydroxide; sodium nitrite In water Product distribution / selectivity; |
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid
Conditions | Yield |
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With hydrogenchloride; sodium nitrite In water |
C24H22N8O12S4
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid
Conditions | Yield |
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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; |
Conditions | Yield |
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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 |
2-(4'-aminophenyl)-6-methylbenzothiazole-7-sulphonic acid
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 |
Conditions | Yield |
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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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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
2-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonic acid (CAS NO.130-17-6) has been used for intermediate of dyes and pigments.
1. | 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 . |
Reported in EPA TSCA Inventory.
Poison by intravenous route. See also SULFONATES. When heated to decomposition it emits very toxic fumes of SOx and NOx.
Hazard Codes: XnC
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
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- .