Benzo[b]thiophene-2-carboxylic acid
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![Benzo[b]thiophene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b681ff390cee463eb5bb9122398ef6ee.png "Benzo[b]thiophene-2-carboxylic acid")
Benzo[b]thiophene-2-carboxylic acid
structure -
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CAS No:
6314-28-9
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Formula:
C9H6O2S
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Chemical Name:
Benzo[b]thiophene-2-carboxylic acid
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Synonyms:
Benzo[b]thiophene-2-carboxylic acid;BL 5583;Thionaphthene-2-carboxylic acid;Benzothiofuran-2-carboxylic acid;Benzothiophene-2-carboxylic acid;2-Carboxybenzothiophene;2-Benzo[b]thiophenecarboxylic acid;NSC 112990;NSC 40258;1-Benzothiophene-2-carboxylic acid;Thianaphthene-2-carboxylic acid
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CAS No:
Benzo[b]thiophene-2-carboxylic acid Basic Attributes
178.21
178.21
124613
1592732-453-0
HLR49221FQ
112990|40258
DTXSID60212485
2934999090
Characteristics
65.5
2.8
yellowish-beige crystalline powder
1.4±0.1 g/cm3
114 °C
376.2°C at 760 mmHg
181.3±20.4 °C
1.717
Soluble in ethanol, acetone and chloroform. Insoluble in water.
Store in a cool, dry place. Store in a tightly closed container.
Safety Information
3
36/37/38
37/39-26-36
Xi
Irritant
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:178.21
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:178.00885060
Monoisotopic Mass:178.00885060
Topological Polar Surface Area:65.5
Heavy Atom Count:12
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzo[b]thiophene-2-carboxylic acid
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