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(-)-4-Bromotetramisole oxalate

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Name

(-)-4-Bromotetramisole oxalate

EINECS 263-487-0
CAS No. 62284-79-1 Density N/A
PSA 115.50000 LogP 1.43770
Solubility N/A Melting Point 192 °C (dec. )
Formula C13H13BrN2O4S Boiling Point 388.6 °C at 760 mmHg
Molecular Weight 373.22 Flash Point 188.8 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 24/25-36/37/39-26 Risk Codes 21/22-36/37/38-20/21/22
Molecular Structure Molecular Structure of 62284-79-1 ((-)-4-Bromotetramisole oxalate) Hazard Symbols HarmfulXn
Synonyms

(S)-6-(p-Bromophenyl)-2,3,5,6-tetrahydroimidazo(2,1-b)thiazole oxalate;Imidazo(2,1-b)thiazole, 6-(4-bromophenyl)-2,3,5,6-tetrahydro-, (S)-, ethanedioate (1:1);7-(4-Bromophenyl)-4-thia-1,6-diazabicyclo[3.3.0]oct-5-ene; oxalic acid;(7S)-7-(4-Bromophenyl)-4-thia-1,6-diazabicyclo[3.3.0]oct-5-ene;(-)-p-Bromotetramisole.oxalate;L(-)-p-Bromotetramisole oxalate;L-(-)-p-Bromotetramisole oxalate;

 

(-)-4-Bromotetramisole oxalate Specification

The (-)-4-Bromotetramisole oxalate, with the CAS registry number of 62284-79-1, is also known as 6-Bromolevamisole oxalate. It belongs to the product category of Chiral. Its EINECS registry number is 263-487-0. This chemical's molecular formula is C13H13BrN2O4S and molecular weight is 373.22. What's more, its IUPAC name is 6-(4-Bromophenyl)-2, 3, 5, 6-tetrahydroimidazo[2, 1-b][1, 3]thiazole; oxalic acid. In addition, it should be stored in dry, airtight place at 4 °C. Avoid contact with oxidant, light, otherwise it would decompose.

Physical properties about (-)-4-Bromotetramisole oxalate are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.34; (8)ACD/KOC (pH 7.4): 8.8; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.9 Å2; (13)Flash Point: 188.8 °C; (14)Enthalpy of Vaporization: 63.78 kJ/mol; (15)Boiling Point: 388.6 °C at 760 mmHg; (16)Vapour Pressure: 3.03E-06 mmHg at 25 °C; (17)Melting Point: 192 °C (dec. ).

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. Hence, you should avoid contacting with skin and eyes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(=O)O.Brc1ccc(cc1)[C@@H]3/N=C2/SCCN2C3
(2) InChI: InChI=1/C11H11BrN2S.C2H2O4/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;3-1(4)2(5)6/h1-4,10H,5-7H2;(H,3,4)(H,5,6)/t10-;/m1./s1
(3) InChIKey: ZULBIBHDIQCNIS-HNCPQSOCBK

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