4-Bromo-5-propylthiophene-2-carboxylic acid - CAS 869951-15-5
Catalog: |
BB045721 |
Product Name: |
4-Bromo-5-propylthiophene-2-carboxylic acid |
CAS: |
869951-15-5 |
Synonyms: |
2-Thiophenecarboxylic acid, 4-bromo-5-propyl-; 4-bromo-5-propyl-2-thiophenecarboxylic acid |
IUPAC Name: | 4-bromo-5-propylthiophene-2-carboxylic acid |
Description: | 4-Bromo-5-propylthiophene-2-carboxylic acid (CAS# 869951-15-5 ) is a useful research chemical. |
Molecular Weight: | 249.13 |
Molecular Formula: | C8H9BrO2S |
Canonical SMILES: | CCCC1=C(C=C(S1)C(=O)O)Br |
InChI: | InChI=1S/C8H9BrO2S/c1-2-3-6-5(9)4-7(12-6)8(10)11/h4H,2-3H2,1H3,(H,10,11) |
InChI Key: | WMBFFUJISNVJLE-UHFFFAOYSA-N |
Boiling Point: | 345 °C at 760 mmHg |
Density: | 1.587 g/cm3 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.95066 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.95066 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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