5-(Propan-2-yl)thiophene-2-carboxylic acid - CAS 29481-42-3
Catalog: |
BB049052 |
Product Name: |
5-(Propan-2-yl)thiophene-2-carboxylic acid |
CAS: |
29481-42-3 |
Synonyms: |
5-isopropylthiophene-2-carboxylic acid; 2-Thiophenecarboxylic acid, 5-(1-methylethyl)-; 5-(methylethyl)thiophene-2-carboxylic acid; 5-Isopropyl-2-thiophenecarboxylic acid |
IUPAC Name: | 5-propan-2-ylthiophene-2-carboxylic acid |
Description: | 5-(Propan-2-yl)thiophene-2-carboxylic acid (CAS# 29481-42-3 ) is a useful research chemical. |
Molecular Weight: | 170.23 |
Molecular Formula: | C8H10O2S |
Canonical SMILES: | CC(C)C1=CC=C(S1)C(=O)O |
InChI: | InChI=1S/C8H10O2S/c1-5(2)6-3-4-7(11-6)8(9)10/h3-5H,1-2H3,(H,9,10) |
InChI Key: | UNRLIVDGCWAZQO-UHFFFAOYSA-N |
Boiling Point: | 289.3±28.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.2±0.1 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | 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 |
Signal Word: | Warning |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.04015073 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.04015073 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Carbonyl Compounds
Thiophenes
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