6-Benzothiazolecarboxylic acid
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6-Benzothiazolecarboxylic acid
structure -
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CAS No:
3622-35-3
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Formula:
C8H5NO2S
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Chemical Name:
6-Benzothiazolecarboxylic acid
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Synonyms:
6-Benzothiazolecarboxylic acid;1,3-Benzothiazole-6-carboxylic acid;Benzo[d]thiazole-6-carboxylic acid;1: PN: WO2008156676 SEQID: 1 claimed sequence
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CAS No:
Characteristics
78.4
1.5
White to pale brown Powder
1.5±0.1 g/cm3
245-246 °C
387.7°C at 760 mmHg
188.3±20.4 °C
1.732
>26.9 [ug/mL]
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-20/21/22
26-36-2637/39
Xi,Xn
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 58 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-Benzothiazolecarboxylic acid Use and Manufacturing
The basic starting material for the synthesis of benzothiazole.
Computed Properties
Molecular Weight:179.20
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:179.00409958
Monoisotopic Mass:179.00409958
Topological Polar Surface Area:78.4
Heavy Atom Count:12
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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