Description

2-Chloro-3′,4′-dihydroxyacetophenone (CAS No. 99-40-1) is a high-purity organic compound with the molecular formula C₈H₇ClO₃. This fine chemical is widely utilized in pharmaceutical research, organic synthesis, and biochemical applications due to its unique structural properties. The compound features a chloroacetyl group adjacent to a dihydroxyphenyl ring, making it a valuable intermediate for the synthesis of catechol derivatives and bioactive molecules. It is available in various purity grades, including ≥97%, and is supplied in stable crystalline form under controlled conditions to ensure optimal performance in sensitive applications. Suitable for HPLC, NMR, and LC-MS analysis, this product meets stringent quality standards for laboratory and industrial use.

Properties

• CAS Number: 99-40-1
• Complexity: 172
• IUPAC Name: 2-chloro-1-(3,4-dihydroxyphenyl)ethanone
• InChI: InChI=1S/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2
• InChI Key: LWTJEJCZJFZKEL-UHFFFAOYSA-N
• Exact Mass: 186.0083718
• Molecular Formula: C8H7ClO3
• Molecular Weight: 186.59
• SMILES: C1=CC(=C(C=C1C(=O)CCl)O)O
• Topological: 57.5
• Monoisotopic Mass: 186.0083718
• Synonyms: 2-Chloro-3′,4′-dihydroxyacetophenone, 2-Chloro-1-(3,4-dihydroxyphenyl)ethanone, 4-(Chloroacetyl)catechol, UNII-FN6949L56Q, chloromethyl 3,4-dihydroxyphenyl ketone, CHEBI:51844, FN6949L56Q, EINECS 202-754-8, NSC-13905, NSC-17869, .alpha.-Chloro-3,4-dihydroxyacetophenone, AI3-25258, DTXSID90243929, NSC 13905, NSC 17869, acetophenone, alpha-chloro-3,4-dihydroxy-, 1-CHLOROACETYL-3,4-DIHYDROXYBENZENE, ACETOPHENONE, .ALPHA.-CHLORO-3,4-DIHYDROXY-, 2-CHLORO-1-(3,4-DIHYDROXYPHENYL)-1-ETHANONE, NORADRENALINE TARTRATE IMPURITY E [EP IMPURITY], NORADRENALINE TARTRATE IMPURITY E (EP IMPURITY), DTXCID70166420, alpha-Chloro-3,4-dihydroxyacetophenone, inchi=1/c8h7clo3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11h,4h, lwtjejczjfzkel-uhfffaoysa-n, 99-40-1, 3,4-Dihydroxyphenacyl chloride, Ethanone, 2-chloro-1-(3,4-dihydroxyphenyl)-, MFCD00002200, 3′,4′-Dihydroxy-2-chloroacetophenone, CHEMBL105609, .alpha.-Chloro-3′,4′-dihydroxyacetophenone, Acetophenone, 2-chloro-3′,4′-dihydroxy-, 1-(3,4-dihydroxyphenyl)-2-chloroethan-1-one, NSC17869, 2-Chloro3′,4′-Ddihydroxyacetophenone, 3,4-Dihydroxy-alpha-chloroacetophenone, 4-chloroacetylcatechol, 4-chloroacetyl-catechol, Noradrenaline impurity E, 4-(chloroacetyl)-catechol, 2-chloro-1-(3,4-dihydroxyphenyl)ethan-1-one, 4-(Chloroacetyl)pyrocatechol, SCHEMBL43409, 4-(2-chloroacetyl)pyrocatechol, SCHEMBL8673582, ALBB-019715, NSC13905, 2-chloro-3’4′-dihydroxyacetophenone, BBL011663, BDBM50119688, SBB063277, STK077070, 2-chloro-3’4′-dihydroxy-acetophenone, AKOS000120697, 4-(Chloroacetyl)-1,2-dihydroxybenzene, AC-7480, CS-W016884, FC19955, 2-chloro-3”,4”-dihydroxyacetophenone, NCGC00184201-01, NCGC00184201-02, NCGC00184201-03, alpha-Chloro-3′,4′-dihydroxyacetophenone, AS-18630, PD140509, SY049311, UPCMLD0ENAT0516-6643:001, NS00041156, ST45026894, 2-Chloro-1-(3,4-dihydroxyphenyl)ethanone #, 2-Chloro-3′,4′-dihydroxyacetophenone, 97%, EN300-17297, O10915, AT-051/43421153, Q27122818, Z56912624, F0001-2334, Noradrenaline impurity E, European Pharmacopoeia (EP) Reference Standard

2-Chloro-3′,4′-dihydroxyacetophenone serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly in the development of catecholamine analogs and enzyme inhibitors. It is also employed in biochemical research as a precursor for fluorophores and crosslinking agents. Additionally, this compound is used in organic synthesis to introduce chloroacetyl functionalities into complex molecules for further derivatization.

Safety and Hazards

GHS Hazard Statements

• H301 (12.5%): Toxic if swallowed [Danger 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 (98.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H412 (12.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (12.5%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98.4%)
• Aquatic Chronic 3 (12.5%)

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