Description

1-Chloro-4-(trifluoromethyl)benzene (CAS No. 98-56-6), also known as 4-Chlorobenzotrifluoride, is a high-purity aromatic compound with the molecular formula C₇H₄ClF₃. This colorless to pale yellow liquid is widely used in organic synthesis, pharmaceutical intermediates, and agrochemical production due to its stable trifluoromethyl and chloro functional groups. With a boiling point of approximately 139-140°C and a density of 1.353 g/mL at 25°C, it offers excellent reactivity in electrophilic substitution reactions. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers to maintain integrity. Ideal for researchers requiring precise fluorinated building blocks for advanced chemical applications.

Properties

• CAS Number: 98-56-6
• Complexity: 124
• IUPAC Name: 1-chloro-4-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
• InChI Key: QULYNCCPRWKEMF-UHFFFAOYSA-N
• Exact Mass: 179.9953623
• Molecular Formula: C7H4ClF3
• Molecular Weight: 180.55
• SMILES: C1=CC(=CC=C1C(F)(F)F)Cl
• Monoisotopic Mass: 179.9953623
• Physical Description: P-chlorobenzotrifluoride is a clear colorless liquid with an aromatic odor.
• Color/Form: Water-white liquid
• Odor: Strong though not unpleasant aromatic odor
• Boiling Point: 277 to 280 °F at 760 mmHg
• Melting Point: -33 °F
• Flash Point: 117 °F
• Solubility: less than 1 mg/mL at 68 °F
• Density: 1.34 – Denser than water; will sink
• Vapor Density: 6.24 – Heavier than air; will sink
• Vapor Pressure: 1 mmHg at 32 °F ; 5 mmHg at 76.5 °F
• Refractive Index: Index of refraction = 1.4431 at 30 °C/D
• Synonyms: 4-Chlorobenzotrifluoride, 98-56-6, p-Chlorobenzotrifluoride, 1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE, Benzene, 1-chloro-4-(trifluoromethyl)-, PCBTF, para-Chlorobenzotrifluoride, (p-Chlorophenyl)trifluoromethane, p-Chlorotrifluoromethylbenzene, p-Trifluoromethylphenyl chloride, p-(Trifluoromethyl)chlorobenzene, 4-Chloro-alpha,alpha,alpha-trifluorotoluene, p-Chloro-alpha,alpha,alpha-trifluorotoluene, CCRIS 720, NSC 10309, para-Chlorotrifluoromethylbenzene, HSDB 4251, EINECS 202-681-1, BRN 0510203, 694YO34JHC, (4-chlorophenyl)trifluoromethane, DTXSID7024821, alpha,alpha,alpha-Trifluoro-4-chlorotoluene, para-Chloro-alpha,alpha,alpha-trifluorotoluene, Toluene, p-chloro-alpha,alpha,alpha-trifluoro-, NSC-10309, 4-(TRIFLUOROMETHYL)CHLOROBENZENE, DTXCID004821, 1-chloro-4-trifluoromethylbenzene, CHLOROBENZOTRIFLUORIDE, P-, EC 202-681-1, 4-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene, P-CHLOROBENZOTRIFLUORIDE [MI], 1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE [HSDB], CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE, 4-, OXSOL 100, UN2234, 1-chloro-4-(trifluoromethyl) benzene, 4chlorobenzotrifluoride, pChlorobenzotrifluoride, pChlorotrifluoromethylbenzene, 4-CTT, 4-chlorotrifluoromethylbenzene, pTrifluoromethylphenyl chloride, (pChlorophenyl)trifluoromethane, p(Trifluoromethyl)chlorobenzene, paraChlorotrifluoromethylbenzene, p-chloro(trifluoromethyl)benzene, 1(Trifluoromethyl)4chlorobenzene, Benzene, 1chloro4(trifluoromethyl), benzene 1-chloro-4-(trifluoromethyl), 4Chloroalpha,alpha,alphatrifluorotoluene, alpha,alpha,alphaTrifluoro4chlorotoluene, pChloroalpha,alpha,alphatrifluorotoluene, 4-CHLORO(TRIFLUOROMETHYL)BENZENE, Benzol, 1-chloro-4-(trifluoromethyl)-, paraChloroalpha,alpha,alphatrifluorotoluene, Toluene, pchloroalpha,alpha,alphatrifluoro, 202-681-1, 682-539-7, 98-56-6, 92709-16-5, inchi=1/c7h4clf3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4, 1-(Trifluoromethyl)-4-chlorobenzene, p-Chloro-a,a,a-trifluorotoluene, PARACHLOROBENZOTRIFLUORIDE, 4-chloro-benzotrifluoride, MFCD00000627, P-(TRIFLUOROMETHYL) CHLOROBENZENE, 1219804-33-7, 4-CHLORO-A,A,A-TRIFLUOROTOLUENE-D4, Toluene, p-chloro-.alpha.,.alpha.,.alpha.-trifluoro-, 4-Chloro-a,a,a-trifluorotoluene, 4-chloro-1-(trifluoromethyl)benzene, CAS-98-56-6, 4-trifluoromethylchlorobenzene, UNII-694YO34JHC, 4-chlorobenzo-trifluoride, SCHEMBL98163, SCHEMBL196588, SCHEMBL261029, 4-chloro trifluoromethylbenzene, 4-trifluoromethyl chlorobenzene, 4-Chlorobenzotrifluoride, 98%, CHEMBL1797001, 1-trifluoromethyl-4-chlorobenzene, chloro-4-(trifluoromethyl)benzene, BCP24446, NSC10309, Tox21_201445, Tox21_303261, SBB089721, STL268887, AKOS005067495, NCGC00091724-01, NCGC00091724-02, NCGC00091724-03, NCGC00257114-01, NCGC00258996-01, AC-10097, 4-Chloro-.alpha.,.alpha.-trifluorotoluene, p-Chloro-.alpha.,.alpha.-trifluorotoluene, NS00002149, ST50406272, EN300-20053, G77196, p-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene, Q410670, (p-Chlorophenyl)trifluoromethane;4-Chlorobenzyltrifluoride;, N-(2,4-dimethylphenyl)-3-hydroxy-naphthalene-2-carboxamide, 1-Chloro-4-(trifluoromethyl)benzene, 4-Chloro-alpha,alpha,alpha-trifluorotoluene, 1-chloro-4-(trifluoromethyl)benzene; 4-Chloro-alpha,alpha,alpha-trifluorotoluene; (p-Chlorophenyl)trifluoromethane; p-Chlorotrifluoromethylbenzene; p-(Trifluoromethyl)chlorobenzene; PCBTF

Application

1-Chloro-4-(trifluoromethyl)benzene serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its trifluoromethyl group enhances bioavailability in drug development, while the chloro substituent facilitates further functionalization via cross-coupling reactions. Commonly employed in Suzuki-Miyaura and Ullmann-type couplings, it is also utilized in liquid crystal and polymer production. Researchers value its role in introducing trifluoromethyl motifs into complex molecules for material science applications.

Safety and Hazards

GHS Hazard Statements

• H226: Flammable liquid and vapor [Warning Flammable liquids]
• H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
• H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H350: May cause cancer [Danger Carcinogenicity]
• H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Precautionary Statements

• P203, P210, P233, P240, P241, P242, P243, P260, P261, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P317, P318, P319, P321, P333+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (91.1%)
• Skin Irrit. 2 (75.8%)
• Skin Sens. 1B (21.1%)
• Eye Irrit. 2 (75.8%)
• STOT SE 3 (73.7%)
• Aquatic Chronic 2 (36.3%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.