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3507-26-4

Basic Information
CAS No.: 3507-26-4
Name: 2-Chloro-6-methylbenzothiazole
Article Data: 14
Molecular Structure:
Molecular Structure of 3507-26-4 (2-Chloro-6-methylbenzothiazole)
Formula: C8H6 Cl N S
Molecular Weight: 183.661
Synonyms: 2-Chloro-6-methyl-1,3-benzothiazole;2-Chloro-6-methylbenzothiazole
Density: 1.365g/cm3
Melting Point: 44-49 ºC
Boiling Point: 268.4°Cat760mmHg
Flash Point: 110 ºC
Hazard Symbols:
Risk Codes: R22;R36   
Safety:
Hazard Codes Xi,Xn
Risk Statements 22-36
Safety Statements 26
Hazard Note Irritant
PSA: 41.13000
LogP: 3.25810
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    Benzothiazole,2-chloro-6-methyl-

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    Molecular Formula C8H6ClNS Molecular Weight 183.66 CAS Registry Number 3507-26-4 Name2-Chloro-6-methylbenzothiazoleSynonym…

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    3507-26-4

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Chemistry

Molecular Structure of 2-Chloro-6-methylbenzothiazole (CAS No.3507-26-4):
 
Molecular Formula: C8H6ClNS     
Molecular Weight: 183.6579
CAS No: 3507-26-4
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 41.13 Å2
Index of Refraction: 1.67
Molar Refractivity: 50.29 cm3
Molar Volume: 134.4 cm3
Surface Tension: 52.4 dyne/cm
Density: 1.365 g/cm3
Flash Point: 116.1 °C
Enthalpy of Vaporization: 48.61 kJ/mol
Boiling Point: 268.4 °C at 760 mmHg
Vapour Pressure: 0.0127 mmHg at 25°C
InChI: InChI=1/C8H6ClNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3
InChIKey: PAKSGYIFUVNJQF-UHFFFAOYAZ
Std. InChI: InChI=1S/C8H6ClNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3
Std. InChIKey: PAKSGYIFUVNJQF-UHFFFAOYSA-N
Product Categories: BENZOTHIAZOLE;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Thiazoles;ThiazolesHeterocyclic Building Blocks

Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 22-36
R22:Harmful if swallowed. 
R36:Irritating to eyes.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Hazard Note: Irritant

Specification

   2-Chloro-6-methylbenzothiazole (CAS No.3507-26-4), its synonyms are 2-Chloro-6-methyl-1,3-benzothiazole ; Benzothiazole, 2-chloro-6-methyl- ; 2-Chloro-6-methylbenzothiazole