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2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol

HCID 13615328
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Basic information

CAS
107344-63-8
Standard SMILES
Cn1ccnc1C(O)C(F)(F)F
InChIKey
VCWWANSAFLSDNW-UHFFFAOYSA-N
Molecular formula
C6H7F3N2O
Average molar mass
180.13 g/mol
Monoisotopic mass
180.05104734

Names & identifiers

Preferred name
2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-ol
IUPAC
2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol

Names & synonyms

107344-63-82,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-olRefChem:440413851-032-4alpha-(Trifluoromethyl)-1-methyl-1H-imidazole-2-methanolMFCD082649862,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethanol1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)imidazoleSCHEMBL344427AKOS009096773SY169630
Show more names
CS-0242763EN300-25492G24581Z199468082

Database identifiers

CAS
107344-63-8
PubChem CID
13615328
EC Number
851-032-4

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
38.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
161

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

1 records
New reaction record
HRID 1186357 reaction equation
HRID 1186357As productuspto-grants-2014_03

Compound notes

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