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3-[3-(Trifluoromethyl)phenyl]-1-propanol - >98.0%(GC), high purity , CAS No.78573-45-2

COA

Grade & Purity:

≥98%(GC)

Cas Number: 78573-45-2
Molecular Weight: 204.19
MDL number: MFCD08706408
PubChem CID: 18755618
PubChem SID: 488199662

In stock

Item Number

T161657

Grouped product items
SKU	Size	Availability	Price
T161657-250mg	250mg	2	$9.90
T161657-1g	1g	5	$21.90
T161657-5g	5g	5	$64.90
T161657-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$116.90
T161657-25g	25g	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$261.90
T161657-100g	100g	4	$941.90

View related series

Non heterocyclic fluorine-containing block (1408) Oxygenated compounds (806)

Basic Description

Synonyms	DS-12921 \| BCP12311 \| DTXSID10595957 \| EN300-137365 \| 3-(3'-TRIFLUOROMETHYL PHENYL) PROPANOL \| Q27121255 \| 3-(3-trifluoromethylphenyl)-1-propanol \| CS-M0619 \| 3-(3'-Trifluoromethylphenyl)propanol \| 3-(3-trifluoromethylphenyl)propanol \| CHEBI:48528 \| 3-(3-
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors	organofluorine compound - propan-1-ols
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488199662
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488199662
IUPAC Name	3-[3-(trifluoromethyl)phenyl]propan-1-ol
INCHI	InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2
InChIKey	QWXKQVIMGVVIBX-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)C(F)(F)F)CCCO
Isomeric SMILES	C1=CC(=CC(=C1)C(F)(F)F)CCCO
PubChem CID	18755618
Molecular Weight	204.19

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number	Certificate Type	Date	Item
L2318192	Certificate of Analysis	Dec 27, 2023	T161657
E2309366	Certificate of Analysis	Feb 15, 2023	T161657
E2309356	Certificate of Analysis	Feb 15, 2023	T161657
E2309348	Certificate of Analysis	Feb 15, 2023	T161657
E2309324	Certificate of Analysis	Feb 15, 2023	T161657
E2309367	Certificate of Analysis	Feb 15, 2023	T161657
E2309349	Certificate of Analysis	Feb 15, 2023	T161657
E2309322	Certificate of Analysis	Feb 15, 2023	T161657
E2309357	Certificate of Analysis	Feb 15, 2023	T161657
D1903165	Certificate of Analysis	Jan 06, 2023	T161657
L2207255	Certificate of Analysis	Dec 15, 2022	T161657

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Chemical and Physical Properties

Refractive Index	1.46
Flash Point(°C)	105 °C
Boil Point(°C)	60°C/1.13mmHg(lit.)
Molecular Weight	204.190 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	204.076 Da
Monoisotopic Mass	204.076 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	167.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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