| CAS Number | 1229311-61-8 |
| Catalog Number | AG000JSA(AGN-PC-0BU26K) |
| Chemical Name | 1-(Trifluoromethyl)Cyclopropanecarbaldehyde |
| IUPAC Name | 1-(trifluoromethyl)cyclopropane-1-carbaldehyde |
| InChI | InChI=1S/C5H5F3O/c6-5(7,8)4(3-9)1-2-4/h3H,1-2H2 |
| InChI Key | QUWHGSSMZMPEGW-UHFFFAOYSA-N |
| MDL Number | MFCD18250268 |
| Molecular Formula | C5H5F3O |
| Molecular Weight | 138.0878 |
| SMILES | FC(C1(C=O)CC1)(F)F |
| Synonyms | 1-(TRIFLUOROMETHYL)CYCLOPROPANECARBALDEHYDE,
1229311-61-8,
SCHEMBL568854,
QUWHGSSMZMPEGW-UHFFFAOYSA-N,
ZINC95762236,
AKOS024160763,
AB72660,
DA-47012,
SC-47902,
FT-0745539,
Cyclopropanecarboxaldehyde, 1-(trifluoromethyl)-,
1-(Trifluoromethyl)cyclopropanecarbaldehyde, AldrichCPR,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.089g/mol |
| Monoisotopic Mass | 138.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
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Hazard Class
|
3
|
|
Hazard statements
|
H226-H315-H319-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
|
|
UN Code
|
UN 1989
|
Certificate of Analysis
Lot Number