2-(p-Trifluoromethylbenzyl)-2-imidazoline

Modify Date: 2024-02-10 15:50:03

2-(p-Trifluoromethylbenzyl)-2-imidazoline Structure
2-(p-Trifluoromethylbenzyl)-2-imidazoline structure
Common Name 2-(p-Trifluoromethylbenzyl)-2-imidazoline
CAS Number 3038-60-6 Molecular Weight 228.21400
Density 1.29g/cm3 Boiling Point 338.3ºC at 760mmHg
Molecular Formula C11H11F3N2 Melting Point N/A
MSDS N/A Flash Point 158.4ºC

 Names

Name 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole

 Chemical & Physical Properties

Density 1.29g/cm3
Boiling Point 338.3ºC at 760mmHg
Molecular Formula C11H11F3N2
Molecular Weight 228.21400
Flash Point 158.4ºC
Exact Mass 228.08700
PSA 24.39000
LogP 2.01400
Index of Refraction 1.529
InChIKey OXIKUCONSRWLPM-UHFFFAOYSA-N
SMILES FC(F)(F)c1ccc(CC2=NCCN2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NJ4660000
CHEMICAL NAME :
2-Imidazoline, 2-(p-trifluoromethylbenzyl)-
CAS REGISTRY NUMBER :
3038-60-6
BEILSTEIN REFERENCE NO. :
0915364
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C11-H11-F3-N2
MOLECULAR WEIGHT :
228.24
WISWESSER LINE NOTATION :
T5M CN BUTJ B1R DXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Skin and Appendages - hair
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 15,1251,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
53 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Skin and Appendages - hair
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 15,1251,1965

 Safety Information

HS Code 2933290090

 Synthetic Route

~96%

2-(p-Trifluoromethylbenzyl)-2-imidazoline Structure

2-(p-Trifluorom...

CAS#:3038-60-6

Literature: Huh, Dal Ho; Ryu, Hoejin; Kim, Young Gyu Tetrahedron, 2004 , vol. 60, # 44 p. 9857 - 9862

 Customs

HS Code 2933290090
Summary 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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