2-(DIFLUOROMETHYL)-1-FLUOROBENZENE

Modify Date: 2025-08-25 17:42:31

2-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure
2-(DIFLUOROMETHYL)-1-FLUOROBENZENE structure
Common Name 2-(DIFLUOROMETHYL)-1-FLUOROBENZENE
CAS Number 67086-82-2 Molecular Weight 179.28200
Density 1.088g/cm3 Boiling Point 318.5ºC at 760 mmHg
Molecular Formula C10H13NS Melting Point N/A
MSDS N/A Flash Point 146.4ºC

 Names

Name 2-(4-methylphenyl)-1,3-thiazolidine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.088g/cm3
Boiling Point 318.5ºC at 760 mmHg
Molecular Formula C10H13NS
Molecular Weight 179.28200
Flash Point 146.4ºC
Exact Mass 179.07700
PSA 37.33000
LogP 2.65880
Index of Refraction 1.577
InChIKey NLKGQUAQKCOAHV-UHFFFAOYSA-N
SMILES Cc1ccc(C2NCCS2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ6125200
CHEMICAL NAME :
Thiazolidine, 2-(p-tolyl)-
CAS REGISTRY NUMBER :
67086-82-2
LAST UPDATED :
199706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H13-N-S
MOLECULAR WEIGHT :
179.30
WISWESSER LINE NOTATION :
T5M CSTJ BR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 13,149,1978

 Safety Information

HS Code 2934999090

 Synthetic Route

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2-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure

2-(DIFLUOROMETH...

CAS#:67086-82-2

Literature: Richter Gedeon Vegyeszeti Gyar RT Patent: US4616025 A1, 1986 ;

~%

2-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure

2-(DIFLUOROMETH...

CAS#:67086-82-2

Literature: Nate; Sekine; Honma; Nakai; Wada; Takeda; Yabana; Nagao Chemical and pharmaceutical bulletin, 1987 , vol. 35, # 5 p. 1953 - 1968

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2-(DIFLUOROMETHYL)-1-FLUOROBENZENE Structure

2-(DIFLUOROMETH...

CAS#:67086-82-2

Literature: Robbe; Fernandez; Dubief; et al. European Journal of Medicinal Chemistry, 1982 , vol. 17, # 3 p. 235 - 243

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 2-(DIFLUOROMETHYL)-1-FLUOROBENZENEBioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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 Synonyms

2-(4-methylphenyl)-thiazolidine
2-(p-Methylphenyl)thiazolidine
2-(4-methylphenyl)-1,3-thiazolane
methylphenylthiazolane
Thiazolidine,2-(p-tolyl)
2-(p-Tolyl)thiazolidine
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