Description
3-(3-Chlorophenoxy)propionic acid (CAS No. 7170-50-5) is a high-purity chlorinated phenoxypropionic acid derivative with the molecular formula C9H9ClO3. This white to off-white crystalline powder (IUPAC name: 3-(3-chlorophenoxy)propanoic acid) is a versatile intermediate for organic synthesis and pharmaceutical research. With a molecular weight of 200.62 g/mol, it exhibits excellent stability under recommended storage conditions (2-8°C in a tightly sealed container). Our product is analytically validated by HPLC (>98% purity) and is supplied with comprehensive spectroscopic data (MS, 1H NMR, 13C NMR). Suitable for use as a reference standard or building block in medicinal chemistry, particularly for developing phenoxy-based bioactive compounds. Technical data sheet and safety documentation available upon request.
Properties
- CAS Number: 7170-50-5
- Complexity: 172
- IUPAC Name: 3-(3-chlorophenoxy)propanoic acid
- InChI: InChI=1S/C9H9ClO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12)
- InChI Key: QSGKVNYPPAQLDO-UHFFFAOYSA-N
- Exact Mass: 200.0240218
- Molecular Formula: C9H9ClO3
- Molecular Weight: 200.62
- SMILES: C1=CC(=CC(=C1)Cl)OCCC(=O)O
- Topological: 46.5
- Monoisotopic Mass: 200.0240218
- Synonyms: 3-(3-chlorophenoxy)propanoic acid, 7170-50-5, 3-(3-Chlorophenoxy)propionic acid, EINECS 230-522-6, DTXSID90221924, DTXCID20144415, 230-522-6, 3-(3-CHLORO-PHENOXY)-PROPIONIC ACID, MFCD00151673, 3-(3-Chlorophenoxy)propionicAcid, AN-584/13156516, R2C6P3JK39, SCHEMBL3728368, QSGKVNYPPAQLDO-UHFFFAOYSA-N, AC1669, SBB092669, AKOS000130665, Propionic acid, 3-(m-chlorophenoxy)-, AB03979, FS-5603, SY008354, DB-074462, CS-0005243, NS00037278, EN300-37419, PROPANOIC ACID, 3-(3-CHLOROPHENOXY)-, Z240085186
Application
3-(3-Chlorophenoxy)propionic acid serves as a key synthetic intermediate for plant growth regulators and pharmaceutical active ingredients. Researchers utilize this compound in structure-activity relationship studies of auxin-type herbicides. The chlorophenoxy moiety makes it valuable for developing novel agrochemicals with selective herbicidal activity. In medicinal chemistry, it functions as a building block for potential CNS-active compounds due to its ability to cross the blood-brain barrier.
Safety and Hazards
GHS Hazard Statements
- 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 Statements
- 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
Hazard Classes and Categories
- Skin Irrit. 2 (100%)
- Eye Irrit. 2A (100%)
- STOT SE 3 (100%)
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