3,5-Dichlorophenylboronic acid (HCID 2734331)

Names & identifiers

Preferred name: 3,5-Dichlorophenylboronic acid
IUPAC: (3,5-dichlorophenyl)boronic acid
English name: 3,5-Dichlorophenylboronic acid
Molecular formula: C6H5BCl2O2
Molecular weight: 190.82

Names & synonyms

3,5-Dichlorophenylboronic acid67492-50-6DTXSID70370222RefChem:271695DTXCID10321258628-675-2(3,5-dichlorophenyl)boronic Acid3,5-Dichlorobenzeneboronic AcidMFCD000519353,5-Dichlorophenyl boronic acid3,5-dichrolo phenyl boronic acid(3,5-dichlorophenyl)boranediol

Show more names

AKOS BRN-0088RARECHEM AH PB 00883,5-Dichlorophenylbo3,5-Dichlophenylboronic acid3,5-dichloeophenylboronicacid3,5-Dichlorophenylboronic 97% +3,5-DICHLOROPHENYLBORONIC ACID 98%

3,5-Dichlorophenylboronicacid3,5-dichloro phenylboronic acid3,5-Dichlorobenylboronic acidSCHEMBL177673orb29400403,5-dichloro-phenylboronic acid3,5-dichlorophenyl-boronic acid3,5-dichloro benzeneboronic acid

Database identifiers

CAS: 67492-50-6
PubChem CID: 2734331
DTXSID: DTXSID70370222
EC Number: 628-675-2
Nikkaji: J732.735H

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 124

Physicochemical properties

Melting point: 315 °C · 315 °C
Boiling point: 351.7 · 351.7±52.0 °C(Predicted)
Density: 1.47 · 1.47±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 6.58 · 6.58±0.10(Predicted)
color: White to Almost white
BRN: 7581091 · 7581091
InChI: 1S/C6H5BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
InChIKey: DKYRKAIKWFHQHM-UHFFFAOYSA-N
SMILES: OB(O)c1cc(Cl)cc(Cl)c1
CAS DataBase Reference: 67492 · 67492-50-6(CAS DataBase Reference)
UNSPSC Code: 12352103 · 12352103
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn,F
Risk Statements: 36 · 36/37/38-22-19-11
Safety Statements: 26 · 26-36-37/39-33-16
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29319090 · 29319090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

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 (97.9%): 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)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29319090
risk_code: 36/37/38-22-19-11
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn,F
safety_code: 26-36-37/39-33-16
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

UsesReactant involved in:• ;Suzuki-Miyaura cross-coupling1,2• ;Trifluoromethylation3• ;Intramolecular aromatic carbenoid insertion of biaryldiazoacetates4• ;Cyanation for the synthesis of aromatic nitriles5• ;Lithiation of dihalophenyl dioxazaborocines for synthesis of functionalized dihalophenyl boronic acid6

Usessuzuki reaction

Uses3,5-Dichlorobenzeneboronic Acid, is an intermediate for the synthesis of various pharmaceutical compounds including inhibitors. 3,5-Dichlorobenzeneboronic Acid was also found to facilitate the transport of various ribonucleosides in and out of liposomes (artificial cells).

Upstream & downstream products

Downstream products

3,5-Dichlorophenol 3,3',5,5'-TETRACHLOROBIPHENYL 1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene 3,5-Dichlorobenzophenone 4,6-bis(3,5-dichlorophenyl)-2-methylpyrimidine 4-(3,5-Dichlorophenyl)benzonitrile 2-(3-3,5-DICHLOROPHENYL)-2,3-DIHYDRO-1H-NAPHTHO[1,8-DE][1,3,2]DIAZABORININE

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

149 records

New reaction record

HRID 50712As reactantuspto-grants-2004_03

HRID 52626As reactantuspto-grants-1997_04

HRID 110286As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 146434As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 152228As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 155897As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 168449As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 170908As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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Basic information