4-(Thiophen-3-yl)aniline - CAS 834884-74-1
Catalog: |
BB037032 |
Product Name: |
4-(Thiophen-3-yl)aniline |
CAS: |
834884-74-1 |
Synonyms: |
4-thiophen-3-ylaniline |
IUPAC Name: | 4-thiophen-3-ylaniline |
Description: | 4-(Thiophen-3-yl)aniline (CAS# 834884-74-1) is a useful research chemical. |
Molecular Weight: | 175.25 |
Molecular Formula: | C10H9NS |
Canonical SMILES: | C1=CC(=CC=C1C2=CSC=C2)N |
InChI: | InChI=1S/C10H9NS/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7H,11H2 |
InChI Key: | GYPDHLDQINBFPY-UHFFFAOYSA-N |
Boiling Point: | 280 °C at 760 mmHg |
Melting Point: | 99-103 °C (lit.) |
Purity: | 95 % |
Density: | 1.196 g/cm3 |
Appearance: | White to brown powder or crystals |
MDL: | MFCD06740168 |
LogP: | 3.57850 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2021134271-A | Coating liquid and metallic luster film | 20200226 |
CN-113161471-A | Thermoelectric conversion element and article having thermoelectric conversion element | 20200122 |
JP-2021118202-A | Thermoelectric conversion element, and an article including the thermoelectric conversion element | 20200122 |
US-2021226111-A1 | Thermoelectric conversion element and article having thermoelectric conversion element | 20200122 |
CN-112980299-A | Composition for forming metallic luster film, and article | 20191213 |
PMID | Publication Date | Title | Journal |
22547662 | 20120701 | Antistaphylococcal activity of DNA-interactive pyrrolobenzodiazepine (PBD) dimers and PBD-biaryl conjugates | The Journal of antimicrobial chemotherapy |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.04557046 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.04557046 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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