2-Chloro-6-(trifluoromethyl)benzeneboronic acid

HCID 44558146

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Basic information

CAS: 851756-52-0
Standard SMILES: OB(O)c1c(Cl)cccc1C(F)(F)F
InChIKey: ARGDVPMTQZNUBG-UHFFFAOYSA-N
Molecular formula: C7H5BClF3O2
Average molar mass: 224.37 g/mol
Monoisotopic mass: 224.0023217

Names & identifiers

Preferred name: 2-Chloro-6-(trifluoromethyl)benzeneboronic acid
IUPAC: [2-chloro-6-(trifluoromethyl)phenyl]boronic acid
English name: 2-Chloro-6-(trifluoromethyl)phenylboronic acid
Molecular formula: C7H5BClF3O2
Molecular weight: 224.37

Names & synonyms

2-CHLORO-6-(TRIFLUOROMETHYL)BENZENEBORONIC ACIDRefChem:469585826-237-72-CHLORO-6-(TRIFLUOROMETHYL)PHENYLBORONIC ACID851756-52-0[2-Chloro-6-(trifluoromethyl)phenyl]boronic acidMFCD090379682-Chloro-6-(trifluoromethyl)phenylboronicacid(2-chloro-6-(trifluoromethyl)phenyl)boronic acidBoronic acid, [2-chloro-6-(trifluoromethyl)phenyl]-SCHEMBL13125382DTXSID70659367

Show more names

2-Borono-3-chlorobenzotrifluoride2-Chloro-6-(trifluoromethyl)benzeneboronicacid95%Boronic acid, [2-chloro-6-(trifluoromethyl)phenylBoronic acid,B-[2-chloro-6-(trifluoromethyl)phenyl]-

SBB071197AKOS015849963AB49484AS-18758SY026637DB-010392CS-0045612W10577

Database identifiers

CAS: 851756-52-0
PubChem CID: 44558146
DTXSID: DTXSID70659367
EC Number: 826-237-7

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 200

Physicochemical properties

Boiling point: 296.5 · 296.5±50.0 °C(Predicted)
Density: 1.49 · 1.49±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 7.81 · 7.81±0.58(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 36 · 36/37
HazardClass: IRRITANT
HS Code: 2931900090 · 2931900090

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 · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

Safety data

hs_code: 2931900090
risk_code: 36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 36/37
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Chemistry & industry

Suppliers52 total

上海腾准生物科技有限公司19821570922 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Aladdin Scientific[email protected]

Accendatech Co., Ltd.+undefined+86-13132578992 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

1 records

New reaction record

HRID 522064As reactantuspto-grants-2016_05

Compound notes

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