CAS 5813-89-8 2-Thiophenecarboxamide (HCID 22063)

Names & identifiers

Preferred name: 2-Thiophenecarboxamide
IUPAC: thiophene-2-carboxamide
English name: 2-Thiophenecarboxamide
Molecular formula: C5H5NOS
Molecular weight: 127.16

Names & synonyms

2-THIOPHENECARBOXAMIDEThiophene-2-carboxamide5813-89-8NSC 109369BRN 0110153DTXSID602068495-18-06-00162 (Beilstein Handbook Reference)RefChem:89466DTXCID40129340DENPQNAWGQXKCU-UHFFFAOYSA-N2-Thienylamide2-Thenamide

Show more names

BTB 07541NSC109369ZINC00153111164453_ALDRICH

MFCD000104252-(Aminocarbonyl)thiophenethiolamidethiophenic imineSCHEMBL120212AKOS000265960SY048620T1252

Database identifiers

CAS: 5813-89-8
PubChem CID: 22063
DTXSID: DTXSID60206849
EC Number: 677-823-2
Nikkaji: J59.658B

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 71.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 181 · 181-183 °C(lit.)
Boiling point: 313.5 · 313.5±15.0 °C(Predicted)
Density: 1.255 · 1.255 (estimate)
refractive index: 1.548 · 1.5480 (estimate)
storage temp.: 2 · 2-8°C(protect from light)
form: Crystalline Powder or Crystals
pka: 15.84 · 15.84±0.50(Predicted)
color: White to grayish
BRN: 110153 · 110153
CAS DataBase Reference: 5813 · 5813-89-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 301 · H301
Precautionary statements: 264 · P264-P270-P301+P310a-P321-P405-P501a
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 36 · 36/37/39-26-22
WGK Germany: 3 · 3
RTECS: 8290000 · XM8290000
Hazard Note: Irritant
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (20%)；Skin Irrit. 2 (20%)；Eye Irrit. 2 (20%)；Acute Tox. 4 (20%)；STOT SE 3 (20%)

Safety data

wgk: 3
rtecs: XM8290000
hs_code: 29349990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS06
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 36/37/39-26-22
Hazard statements: H301
Precautionary statements: P264-P270-P301+P310a-P321-P405-P501a

Chemistry & industry

Applications

Uses2-Thiophenecarboxamide is a small molecule DnaK modulator targeting the β (nucleotide binding) domain for potential use as antibacterial agent.