Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Buy offers
  • Encyclopedia
  • Suppliers
Home> Encyclopedia >   /  Organic Intermediates  /  Pharmaceuticals and Biochemicals  /  Laboratory Chemicals  /  Custom Manufacturing  /  Other Chemicals
143418-49-9 structure

3,4,5-Trifluorophenylboronic acid

Iupac Name:(3,4,5-trifluorophenyl)boronic acid
CAS No.:143418-49-9
EINECS(EC#): 604-355-8
Molecular Weight:175.901
Molecular Formula:C6H4BF3O2 (isomer)
1. Names and Identifiers
1.1 Synonyms

(3,4,5-trifluorophenyl)boranediol (3,4,5-trifluorophenyl)boronic acid (3,4,5-trifluoro-phenyl)-boronic acid 143418-49-9 3 pound not4 pound not5-trifluorophenyl boronic acid 3,4,5-Trifluophenylboronic acid 3,4,5-trifluorobenzene boronic acid 3,4,5-trifluorobenzeneboronic acid 3,4,5-Trifluorobenzeneboronic acid 97% 3,4,5-Trifluorobenzeneboronicacid97% 3,4,5-trifluorophenyl boronic acid 3,4,5-TRIFLUOROPHENYLBORONIC ACID 3,4,5-trifluoro-phenylboronic acid 3,4,5-TRIFLUOROPHENYLBORONIC ACID MIN 96% HPLC 3,4,5-TRIFLUOROPHENYLBORONIC ACID, 95+% 3,4,5-Trifluorophenylboronic Aicd 3,4,5-trifluorophenylboronicacid 3,4,5-trifluorphenylboronic acid 418T499 4CH-013289 A11792 AB0005150 AB1004720 AB10760 AC1MC1NW AC1Q714O AC-5392 ACMC-209cqj ACN-S003971 ACT05033 AK-33272 AKOS BRN-0138 AKOS004116551 AM20060172 AN-11018 ANW-20777 AS04991 BCP22735 BCP9000265 BM157 boronic acid, (3,4,5-trifluorophenyl)- Boronic acid, B-(3,4,5-trifluorophenyl)- BR-33272 CS-D1006 CT-126 CTK0H4600 DB-028244 DTXSID60370438 ec 604-355-8 EN300-53326 FT-0084855 FT-0614138 FT-0657731 GS-6729 I01-1639 I01-6046 JSP002547 KS-000001F4 KSC174M0B LS10966 mfcd02093069 MFCD02093069 (97+%) MOLPORT-000-139-891 NCGC00249510-01 OR002572 PubChem2340 Q-101276 RL01787 RP17431 RTC-061009 RTC-069306 SBB089100 SC-01083 SCHEMBL177479 ST2407945 ST50405615 SY007885 TC-061009 TL8000953 TRA0060595 UHDDEIOYXFXNNJ-UHFFFAOYSA-N ZINC169743309

1.2 Inchi
InChI=1S/C6H4BF3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H
1.3 InChkey
UHDDEIOYXFXNNJ-UHFFFAOYSA-N
1.4 Canonical Smiles
B(C1=CC(=C(C(=C1)F)F)F)(O)O
1.5 Isomers Smiles
B(C1=CC(=C(C(=C1)F)F)F)(O)O
2. 3D Conformer
3. Properties
3.1 Appearance
tan powder
3.2 Density
1.44
3.3 Melting Point
290-295℃
3.4 Boiling Point
263.6 oC at 760 mmHg
3.5 Vapour
0.00513mmHg at 25°C
3.6 Refractive Index
1,423-1,425
3.7 Flash Point
113.2 oC
3.8 Solubility
18.43g/l
3.9 HS Code
29163990
4. Safety and Handling
4.1 Hazard Codes
Xi
4.2 Risk Statements
R36/37/38
4.3 Safety Statements
S26;S37/39
4.4 HazardClass
IRRITANT
4.5 Safety

Hazard Codes:?DangerousN, HarmfulXn,?IrritantXi
Risk Statements: 51/53-36-22-36/37/38?
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.?
R36:Irritating to eyes.?
R22:Harmful if swallowed.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 61-26-37/39-36?
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S37/39:Wear suitable gloves and eye/face protection.?
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT

4.6 Transport
3077
4.7 Specification

?3,4,5-Trifluorophenylboronic acid (CAS NO.143418-49-9) is also named as 3,4,5-Trifluorobenzeneboronic acid ;?1-Bromo-3,4,5-trifluorobenzene ;?3,4,5-Trifluorophenyl Boronic Acid ;?Boronic acid, B-(3,4,5-trifluorophenyl)- .?3,4,5-Trifluorophenylboronic acid (CAS NO.143418-49-9) is tan powder.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

9. Computational chemical data
  • Molecular Weight:175.901g/mol
  • Molecular Formula:C6H4BF3O2
  • Compound Is Canonicalized:True
  • Exact Mass:176.026
  • Monoisotopic Mass:176.026
  • Complexity:146
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYJgMYAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAoGQAACAAACACAEAgwAIAAAACA ACBCAAACAAAgAAAAiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
10. Recommended Suppliers
Global(267)Suppliers
Purity:98% Packing:10kg 25kg 100kg Inquire
  • Products:OrganicBoronicAcid,Pharmaceutical?intermediate,LiquidCrystalMonomer,Flourides,Nucleosides,Piperidines ,pesticide
  • Tel:86-519-88865651
  • Email:Alan@czquanhe.com
Purity:99% Packing:barrel FOB Price:18000 USD/Metric Ton Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Purity:98%min Packing:25kg/Drum FOB Price:60 USD/Kilogram Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Purity:95%, 99% Packing:clients requirement FOB Price:1 USD/Kilogram Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Purity:99%min Packing:25kg/drum FOB Price:1 USD/Kilogram Inquire
  • Products:pharmaceutical intermediates, biochemistry and customized chemicals, special chemicals, organic and inorganic chemicals, medical devices, electronic chemicals and biological sciences
  • Tel:+86-0592-5567629
  • Email:sales@chemzhongyuan.com
Purity:0.98 Packing:500g Inquire
  • Products:API & API intermediates
  • Tel:86-21-33758180
  • Email:sales@dochemical.com
Purity:0.99 Packing:25kg/drum Inquire
  • Products:Our company is an internationally oriented research based pharmaceutical company with headquarters located in Hangzhou,China.
  • Tel:86-571-87758773
  • Email:balas@utanpharma.com
Purity:96%-98%-99% Packing: Inquire
  • Products:CHEMICALS of Lab Chemicals Synthesis; Process Research; Commissioned Manufacturing; Contract Production Confidentially
  • Tel:0086-021-13042155638
  • Email:sales@sino-biochemlab.com
  • Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
  • Tel:86-25-83697070
  • Email:sales@chemlin.com.cn
Purity:99% Packing:fiber drum FOB Price:1 USD/Kilogram Inquire
  • Products:Pharmaceutical, pharmaceutical intermediat,hormone powders
  • Tel:86-27-59887160