2-{[4-(Chloromethyl)-1,3-thiazol-2-yl]methyl}-1,3-benzothiazole

Base Information

• Chemical Name: 2-{[4-(Chloromethyl)-1,3-thiazol-2-yl]methyl}-1,3-benzothiazole
• CAS No.: 342405-25-8
• Molecular Formula: C12H9 Cl N2 S2
• Molecular Weight: 280.8
• DSSTox Substance ID: DTXSID20353186
• Wikidata: Q82130654
• Mol file: 342405-25-8.mol

Synonyms:342405-25-8;2-{[4-(chloromethyl)-1,3-thiazol-2-yl]methyl}-1,3-benzothiazole;2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1,3-benzothiazole;2-([4-(chloromethyl)-1,3-thiazol-2-yl]methyl)-1,3-benzothiazole;2-((4-(Chloromethyl)thiazol-2-yl)methyl)benzo[d]thiazole;DTXSID20353186;STK843379;AKOS000267997;CS-0270625;FT-0610896;EN300-242062

Chemical Property of 2-{[4-(Chloromethyl)-1,3-thiazol-2-yl]methyl}-1,3-benzothiazole

Chemical Property:

• Vapor Pressure: 1.7E-07mmHg at 25°C
• Melting Point: 64℃
• Boiling Point: 439°Cat760mmHg
• PKA: 0.66±0.10(Predicted)
• Flash Point: 219.3°C
• PSA: 82.26000
• Density: 1.432g/cm³
• LogP: 4.08240
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 279.9895683
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

98%Min ^*data from raw suppliers

2-([4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]METHYL)-1,3-BENZOTHIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)CC3=NC(=CS3)CCl