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3,5-Bis(trifluoromethyl)benzonitrile - 98%, high purity , CAS No.27126-93-8

≥98%

CAS#: 27126-93-8
Formula: C₉H₃F₆N
Molecular Weight: 239.12
Beilstein Registry Number: 3552650
EC Number: 248-240-7
MDL number: MFCD00000379
PubChem CID: 96746
PubChem SID: 488187017

Item Number

B120157

Grouped product items
SKU	Size	Availability	Price
B120157-1g	1g	In stock	$15.90
B120157-5g	5g	In stock	$57.90
B120157-25g	25g	In stock	$222.90
B120157-100g	100g	In stock	$800.90
B120157-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,601.90

View related series

Non heterocyclic fluorine-containing block Synthetic block

Basic Description

Synonyms	3-FLUOROBENZALBROMIDE \| JNJ26854165 \| Bis(3,5-trifluoromethyl)benzonitrile \| NSC88316 \| NSC-88316 \| CZKHHAOIHXHOSR-UHFFFAOYSA- \| FT-0614457 \| 3,5-Bis(trifluoromethyl)benzonitrile \| 3,5-bis-(Trifluoromethyl)benzonitrile \| 3,5-bis(trifluoromethyl)-benzonitr
Specifications & Purity	≥98%
Shipped In	Normal
Note	5g、1g卖完停产，不再备货

Associated Targets(Human)

MELK Tchem Maternal embryonic leucine zipper kinase (0 Activities)

Discover Target: MELK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

JAK3 Tclin Tyrosine-protein kinase JAK3 (0 Activities)

Discover Target: JAK3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAP2K4 Tchem Dual specificity mitogen-activated protein kinase kinase 4 (0 Activities)

Discover Target: MAP2K4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BTK Tclin Tyrosine-protein kinase BTK (0 Activities)

Discover Target: BTK

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAPK1 Tchem Mitogen-activated protein kinase 1 (0 Activities)

Discover Target: MAPK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RPS6KA3 Tchem Ribosomal protein S6 kinase alpha-3 (0 Activities)

Discover Target: RPS6KA3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)

Discover Target: JAK3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAP2K4 Tchem Dual specificity mitogen-activated protein kinase kinase 4 (1051 Activities)

Discover Target: MAP2K4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RPS6KA3 Tchem Ribosomal protein S6 kinase alpha 3 (4284 Activities)

Discover Target: RPS6KA3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BTK Tclin Tyrosine-protein kinase BTK (8973 Activities)

Discover Target: BTK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MELK Tchem Maternal embryonic leucine zipper kinase (3491 Activities)

Discover Target: MELK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

Pubchem Sid	488187017
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187017
IUPAC Name	3,5-bis(trifluoromethyl)benzonitrile
INCHI	InChI=1S/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H
InChi Key	CZKHHAOIHXHOSR-UHFFFAOYSA-N
Canonical SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C#N
Isomeric SMILES	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C#N
PubChem CID	96746
Molecular Weight	239.12
Beilstein	3552650
Reaxy-Rn	3552650

Certificates

Certificate of Analysis(COA)

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3 results found

Lot Number	Certificate Type	Date	Item
D1527001	Certificate of Analysis	Dec 14, 2022	B120157
E2325249	Certificate of Analysis	Dec 14, 2022	B120157
C2313549	Certificate of Analysis	Dec 11, 2021	B120157

Refractive Index

1.4175

Flash Point(°F)

72°C(161°F)

Flash Point(°C)

72°C(161°F)

Boil Point(°C)

154-156°C

Melt Point(°C)

21°C

Safety and Hazards(GHS)

Pictogram(s)	GHS06, GHS07
Signal	Danger
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H301:Toxic if swallowed H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P316:IF SWALLOWED: Get emergency medical help immediately. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
Reaxy-Rn	3552650

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