1-Benzothiophene-3-carboxylic acid, 97%

Name: 1-Benzothiophene-3-carboxylic acid
Brand: Chempure

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CAS Number

5381-25-9

Molecular Weight

178.21

Formula

C9H6O2S

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IUPAC name	1-benzothiophene-3-carboxylic acid
inchi	InChI=1S/C9H6O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H,(H,10,11)
inchi key	DRBLTQNCQJXSNU-UHFFFAOYSA-N
molecular formula	C9H6O2S
synonyms	1-Benzothiophene-3-carboxylic acid 5381-25-9 Benzo[b]thiophene-3-carboxylic acid benzothiophene-3-carboxylic acid MFCD01846406

Computed Properties

Molecular Weight:	178.21 g/mol
XLogP3:	2.6
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	178.00885060 g/mol
Monoisotopic Mass:	178.00885060 g/mol
Topological Polar Surface Area:	65.5 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	193
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (77.8%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AA9422

1-Benzothiophene-3-carboxylic acid, 97%

Product No: AA9422

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Product No: AA9422

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?