4-(5-Chloro-2-thienyl)-4-oxobutyric Acid - CAS 70685-06-2
Catalog: |
BB034215 |
Product Name: |
4-(5-Chloro-2-thienyl)-4-oxobutyric Acid |
CAS: |
70685-06-2 |
Synonyms: |
4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid; 4-(5-chlorothiophen-2-yl)-4-oxobutanoic acid |
IUPAC Name: | 4-(5-chlorothiophen-2-yl)-4-oxobutanoic acid |
Description: | 4-(5-Chloro-2-thienyl)-4-oxobutyric Acid (CAS# 70685-06-2) is a useful research chemical. |
Molecular Weight: | 218.66 |
Molecular Formula: | C8H7ClO3S |
Canonical SMILES: | C1=C(SC(=C1)Cl)C(=O)CCC(=O)O |
InChI: | InChI=1S/C8H7ClO3S/c9-7-3-2-6(13-7)5(10)1-4-8(11)12/h2-3H,1,4H2,(H,11,12) |
InChI Key: | QVRXRXKGJQLWMJ-UHFFFAOYSA-N |
Boiling Point: | 435.4 °C at 760 mmHg |
Density: | 1.457 g/cm3 |
LogP: | 2.44900 |
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 |
Publication Number | Title | Priority Date |
US-4299769-A | ω-Heteroaroyl(propionyl or butyryl)-L-prolines | 19800428 |
US-4342689-A | ω-Heteroaroyl(propionyl or butyryl)-L-prolines | 19800428 |
US-4342690-A | ω-Heteroaroyl(propionyl or butyryl)-L-prolines | 19800428 |
US-4342691-A | ω-Heteroaroyl(propionyl or butyryl)-L-prolines | 19800428 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.9804429 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.9804429 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 82.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS