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N-(3-hydroxyphenyl)thiophene-2-carboxamide

HCID 728641
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Basic information

CAS
307525-91-3
Standard SMILES
O=C(Nc1cccc(O)c1)c1cccs1
InChIKey
KMQXHRCPJAMIKP-UHFFFAOYSA-N
Molecular formula
C11H9NO2S
Average molar mass
219.26 g/mol
Monoisotopic mass
219.0353997

Names & identifiers

Preferred name
N-(3-hydroxyphenyl)thiophene-2-carboxamide
IUPAC
N-(3-hydroxyphenyl)thiophene-2-carboxamide
English name
N-(3-hydroxyphenyl)thiophene-2-carboxamide
Molecular formula
C11H9NO2S
Molecular weight
219.26

Names & synonyms

N-(3-hydroxyphenyl)thiophene-2-carboxamide307525-91-3RefChem:826604993-773-7Oprea1_599650HMA52591AKOS000533020N-(3-hydroxyphenyl)-2-thienylcarboxamideCS-0261108ST50003469EN300-77143SR-01000404292
Show more names
2-Thiophenecarboxamide, N-(3-hydroxyphenyl)-
SR-01000404292-1

Database identifiers

CAS
307525-91-3
PubChem CID
728641
EC Number
993-773-7

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
77.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
235

Physicochemical properties

Boiling point
306.1 · 306.1±22.0 °C(Predicted)
Density
1.403 · 1.403±0.06 g/cm3(Predicted)
pka
9.5 · 9.50±0.10(Predicted)
form
solid
UNSPSC Code
12352200 · 12352200

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

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Compound notes

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