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CAS No.: | 32770-99-3 |
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Name: | 5-AMINO-2-METHYLBENZOTHIAZOLE DIHYDROCHLORIDE |
Molecular Structure: | |
Formula: | C8H10Cl2N2S |
Molecular Weight: | 237.153 |
Synonyms: | 5-Benzothiazolamine,2-methyl-, dihydrochloride (9CI);Benzothiazole, 5-amino-2-methyl-,dihydrochloride (8CI);2-Methyl-1,3-benzothiazol-5-amine dihydrochloride;2-Methyl-5-aminobenzothiazole dihydrochloride;5-Amino-2-methylbenzothiazoledihydrochloride;(2-Methyl-1,3-benzothiazol-3-ium-5-yl)azanium dichloride; |
EINECS: | 251-204-3 |
Melting Point: | 249-250 °C |
Boiling Point: | 325 °C at 760 mmHg |
Flash Point: | 150.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 67.15000 |
LogP: | 4.37210 |
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The 5-Benzothiazolamine,2-methyl-, hydrochloride (1:2), with the CAS registry number 32770-99-3, is also known as 5-Amino-2-methylbenzothiazoledihydrochloride. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Thiazoles. Its EINECS number is 251-204-3. This chemical's molecular formula is C8H10Cl2N2S and molecular weight is 237.15. What's more, its systematic name is 2-methyl-1,3-benzothiazol-6-amine dihydrochloride. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Physical properties of 5-Benzothiazolamine,2-methyl-, hydrochloride (1:2) are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 67.15 Å2; (7)Flash Point: 183.5 °C; (8)Enthalpy of Vaporization: 64.02 kJ/mol; (9)Boiling Point: 379.8 °C at 760 mmHg; (10)Vapour Pressure: 3.85E-06 mmHg at 25°C.
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, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc2ccc(cc2s1)N.Cl.Cl
(2)InChI: InChI=1S/C8H8N2S.2ClH/c1-5-10-7-3-2-6(9)4-8(7)11-5;;/h2-4H,9H2,1H3;2*1H
(3)InChIKey: OAFPZCQQMXYSFX-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03222, |