CAS 52003-20-0 2-Nitrothiophen-3-amine (HCID 100818)

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Basic information

CAS: 52003-20-0
Standard SMILES: Nc1ccsc1[N+](=O)[O-]
InChIKey: GADHYUUHHGADGT-UHFFFAOYSA-N
Molecular formula: C4H4N2O2S
Average molar mass: 144.15 g/mol
Monoisotopic mass: 143.99934837

Names & identifiers

Preferred name: 2-Nitrothiophen-3-amine
IUPAC: 2-nitrothiophen-3-amine
English name: 2-nitrothiophen-3-amine
Molecular formula: C4H4N2O2S
Molecular weight: 144.15

Names & synonyms

2-nitrothiophen-3-amineRefChem:477242852-125-252003-20-03-Amino-2-nitrothiophene3-Thiophenamine, 2-nitro-2-Nitro-3-thiophenamineMFCD00971924BRN 1307969NSC3767085-18-09-00538 (Beilstein Handbook Reference)SCHEMBL9125891

Show more names

2-Nitro-3-aminothiophene

DTXSID10199974GADHYUUHHGADGT-UHFFFAOYSA-NAKOS006339566AKOS016012632NSC 376708NSC-376708DA-17710SY121321

Database identifiers

CAS: 52003-20-0
PubChem CID: 100818
DTXSID: DTXSID10199974
EC Number: 852-125-2

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 124

Physicochemical properties

Melting point: 158.5 · 158.5-160℃
Boiling point: 360.2 · 360.2±22.0 °C(Predicted)
Density: 1.549 · 1.549±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: -0.57 · -0.57±0.10(Predicted)
Appearance: Brown to breen Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

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.