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CAS No.: | 88-51-7 |
---|---|
Name: | 2-Amino-4-chloro-5-methylbenzenesulfonic acid |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C7H8ClNO3S |
Molecular Weight: | 221.664 |
Synonyms: | m-Toluenesulfonicacid, 6-amino-4-chloro- (7CI,8CI);1-Amino-3-chloro-4-methylbenzene-6-sulfonicacid;1-Amino-4-methyl-5-chlorobenzene-2-sulfonic acid;2-Amino-4-chloro-5-methyl-1-benzenesulfonic acid;2-Chloro-p-toluidine-5-sulfonic acid;2-Chloro-4-aminotoluene-5-sulfonic acid;2-Chloro-4-toluidine-5-sulfonic acid;3-Chloro-4-methylaniline-6-sulfonic acid;4-Amino-2-chlorotoluene-5-sulfonicacid;6-Amino-4-chloro-m-toluenesulfonic acid;Brilliant Toning Red Amine; |
EINECS: | 201-837-6 |
Density: | 1.553 g/cm3 |
Melting Point: | 180.5oC |
Boiling Point: | 356oC |
Appearance: | white to light gray powder |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
Transport Information: | UN 3261 |
PSA: | 88.77000 |
LogP: | 3.13930 |
Conditions | Yield |
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With sulfuric acid In 1,2-dichloro-benzene at 240℃; for 8h; Autoclave; | 99.1% |
With sulfuric acid In 1,2-dichloro-benzene at 240℃; for 8.5h; Temperature; Dean-Stark; | 99.2% |
durch Sulfurierung; |
6-amino-4-chloro-meta-toluenesulfonic acid
thiophene
sulfuric acid
3-chloro-p-toluidine
6-amino-4-chloro-meta-toluenesulfonic acid
6-amino-4-chloro-meta-toluenesulfonic acid
Conditions | Yield |
---|---|
at 199.84℃; |
6-amino-4-chloro-meta-toluenesulfonic acid
Conditions | Yield |
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at 219.84℃; |
6-amino-4-chloro-meta-toluenesulfonic acid
Conditions | Yield |
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at 239.84℃; |
Conditions | Yield |
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Heating; |
Conditions | Yield |
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Stage #1: 6-amino-4-chloro-meta-toluenesulfonic acid With sulfuric acid; potassium hydroxide In water at 20℃; pH=1-2; Cooling with ice; Stage #2: With nitrosylsulfuric acid In water at 10℃; for 0.833333h; pH=1; Stage #3: BARBITURIC ACID With potassium hydroxide In water at 25 - 30℃; for 1h; pH=3; | 98% |
Stage #1: 6-amino-4-chloro-meta-toluenesulfonic acid With potassium hydroxide In water Stage #2: With nitrosylsulfuric acid; sulfuric acid In water at 10℃; for 0.833333h; pH=1; Stage #3: BARBITURIC ACID With potassium hydroxide In water at 25 - 30℃; for 1h; pH=2 - 3; |
Conditions | Yield |
---|---|
Stage #1: 6-amino-4-chloro-meta-toluenesulfonic acid With hydrogenchloride; sodium hydroxide; sodium nitrite In water at 20.84℃; for 0.5h; Stage #2: 3-Hydroxy-2-naphthoic acid With aminosulfonic acid; sodium hydroxide In water for 2h; | 95% |
(fluorenylmethoxy)carbonyl chloride
6-amino-4-chloro-meta-toluenesulfonic acid
4-chloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylbenzenesulfonic acid
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In 1,4-dioxane; water | 89% |
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The IUPAC name of 2-Chloro-p-toluidine-5-sulfonic acid is 2-amino-4-chloro-5-methylbenzenesulfonic acid. With the CAS registry number 88-51-7, it is also named as Benzenesulfonic acid, 2-amino-4-chloro-5-methyl-; m-Toluenesulfonic acid, 6-amino-4-chloro-. This product is intermediates of dyes and pigments. It is off-white paste which is important intermediate of organic pigments that can synthesize Fast Scarlet BBN, Fast Red F5R, Fast Red BBS, Fast Red 2BL, Fast Red MGP and so on.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.81; (4)ACD/LogD (pH 7.4): -1.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.62; (13)Molar Refractivity: 50.17 cm3; (14)Molar Volume: 142.7 cm3; (15)Polarizability: 19.88×10-24 cm3; (16)Surface Tension: 63.9 dyne/cm; (17)Rotatable Bond Count: 1; (18)Exact Mass: 220.991342; (19)MonoIsotopic Mass: 220.991342; (20)Topological Polar Surface Area: 88.8; (21)Heavy Atom Count: 13.
The 2-Chloro-p-toluidine-5-sulfonic acid can be obtained by the raw material p-nitrotoluene which can generate the mixture of toluene o-chlorine nitrate and toluene p-chlorine nitrate by chlorination. o-Chlorophenol is isolated by the crystallization, and then by reducing, refining, sulfonation to obtain the product. Consumption of raw materials fixed: p-nitrotoluene (98.5%) 780kg / t, sulfuric acid (98) 485kg / t, chlorine (99%) 589kg / t, sulfur (99%) 273kg / t, sodium sulfide (63.5%) 1051kg / t, hydrochloric acid (32.5%) 391kg / t.
When you are using this chemical, please be cautious about it as the following. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1.SMILES: Clc1cc(c(cc1C)S(=O)(=O)O)N;
2.InChI: InChI=1/C7H8ClNO3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,9H2,1H3,(H,10,11,12).
The following is the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LC | inhalation | > 13gm/m3/4H (13000mg/m3) | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 746, 1992. | |
rat | LD50 | oral | 12300mg/kg (12300mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1055, 1986. |