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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 6921Generated: October 26, 2026

1-Chloro-2-(trifluoromethyl)benzene

O-CHLOROBENZOTRIFLUORIDE · 1-CHLORO-2-(TRIFLUOROMETHYL)BENZENE · 2-Chloro-alpha · 2-Chlorobenzotrifluo · Chlorobenzotrifluoride · 2-Chlorobezotrifluoride · o-Trifluoromethylphenyl · O-CHLOROBENZOTRIFLURIDE

https://huagongshe.com/en/chemical/6921

1-Chloro-2-(trifluoromethyl)benzene molecular structure

Identifiers & Physical Properties

CAS No.52181-51-8
Molecular formulaC7H4ClF3
Average molar mass180.55 g/mol
Monoisotopic mass179.9953623 g/mol
SMILESFC(F)(F)c1ccccc1Cl
InChIKeyDGRVQOKCSKDWIH-UHFFFAOYSA-N
PubChem CID6921
ChEMBLCHEMBL1301432
EC No.201-805-1
DTXSIDDTXSID9024774

Chemical & Physical Properties

XLogP3.5
Topological polar surface area0
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds0
Heavy atoms11
Formal charge0
Complexity132
Density1.254 @ 30°C1.379 g/mL at 25 °C(lit.)
Boiling point152.2 °C @760 [mm Hg]152 °C(lit.)
Kovats Retention Index883.4
Melting point-7.4 °C
Refractive indexn20/D 1.456(lit.)
Flash point138 °F
Storage conditionsFlammables area
Physical stateclear liquid
ColorColorless to Light yellow
Specific gravity1.379
Explosive limits1.7%(V)
Solubility<0.1 g/100 mL at 19.5 ºC
BRN510993
Exposure limitsACGIH: TWA 2.5 mg/m3NIOSH: IDLH 250 mg/m3
StabilityStable. Flammable. Incompatible with strong oxidizing agents, strong bases.
InChI1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKeyDGRVQOKCSKDWIH-UHFFFAOYSA-N
SMILESFC(F)(F)c1ccccc1Cl
CAS DataBase Reference88-16-4(CAS DataBase Reference)
EWG's Food Scores1
FDA UNII0V2SO8M97N
NIST Chemistry ReferenceBenzene, 1-chloro-2-(trifluoromethyl)-(88-16-4)
EPA Substance Registry System2-Chlorobenzotrifluoride (88-16-4)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS02,GHS07,GHS09
Signal wordWarning
GHS hazard statementsH315-H319-H411-H226
GHS precautionary statementsP501-P273-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Target organsRespiratory system
Personal protective equipment (PPE)Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard symbolsXi,F,Xn,N
Risk statements (R)10-36/37/38-22
Safety statements (S)26-36-36/37/39-16
UN transport numberUN 2234 (CHLOROBENZOTRIFLUORIDES)
Water hazard class (WGK)3
RTECS numberXS9141000
Hazard NoteFlammable/Irritant
TSCA inventory statusTSCA listed
Hazard class3Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Packing groupIII
Customs code29036990
Storage class3 - Flammable liquids
Limited quantities5.0 L (1.3 gallons) (liquid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & Regulations

GHS classificationWarningH226 (90.8%): Flammable liquid and vapor [Warning Flammable liquids]H302 (76.8%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (88%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (88%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (87.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 284 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatory informationChemical: Benzene, 1-chloro-2-(trifluoromethyl)-1-Chloro-2-(trifluoromethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazard Classes and CategoriesFlam. Liq. 3 (90.8%)Acute Tox. 4 (76.8%)Skin Irrit. 2 (88%)Eye Irrit. 2 (88%)STOT SE 3 (87.7%)Flammable agents - 2nd degree, Reactive agents - 1st degree
Protective Action Criteria (PAC)20 [mg/m3]220 [mg/m3]1300 [mg/m3]
Personal protective equipment (PPE)Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Water hazard class (WGK)3
TSCA inventory statusTSCA listed
RTECS numberXS9141000
UN transport numberUN 2234 (CHLOROBENZOTRIFLUORIDES)
Customs code29036990
Risk statements (R)10-36/37/38-22
Signal wordWarning
GHS pictogramGHS02,GHS07,GHS09
Hazard symbolsXi,F,Xn,N
hazard_noteFlammable/Irritant
Safety statements (S)26-36-36/37/39-16
Hazard class3Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Storage class3 - Flammable liquids
Packing groupIII
Target organsRespiratory system
GHS hazard statementsH315-H319-H411-H226
Limited quantities5.0 L (1.3 gallons) (liquid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
GHS precautionary statementsP501-P273-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

Applications & Uses

Uses

Dye intermediate, chemical intermediate, solvent, and dielectric fluid.

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