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4-Chlorophenylboronic acid(CAS No. 1679-18-1)

4-Chlorophenylboronic acid C6H6BClO2 (cas 1679-18-1) Molecular Structure

1679-18-1 Structure

Identification and Related Records

【Name】
4-Chlorophenylboronic acid
【CAS Registry number】
1679-18-1
【Synonyms】
p-Chlorophenylboronic acid
(4-chlorophenyl)boronic acid
Boronic acid, (4-chlorophenyl)-
p-Chlorobenzeneboronic acid
【EINECS(EC#)】
216-845-5
【Molecular Formula】
C6H6BClO2 (Products with the same molecular formula)
【Molecular Weight】
156.37
【Inchi】
InChI=1/C6H6BClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
【Canonical SMILES】
B(C1=CC=C(C=C1)Cl)(O)O
【MOL File】
1679-18-1.mol

Chemical and Physical Properties

【Appearance】
White - off-white powder.
【Density】
1.32g/cm3
【Melting Point】
284-289℃
【Boiling Point】
295.4 oC
【Vapour】
0.000693mmHg at 25°C
【Refractive Index】
1.557
【Flash Point】
132.4 oC
【Water】
2.5 g/100 mL
【Solubilities】
2.5 g/100 mL in water
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Refrigerator (+4°C)
【Computed Properties】
Molecular Weight:156.37464 [g/mol]
Molecular Formula:C6H6BClO2
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:156.014938
MonoIsotopic Mass:156.014938
Topological Polar Surface Area:40.5
Heavy Atom Count:10
Formal Charge:0
Complexity:102
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】
Hazard Codes:Xn,Xi
Risk Statements:20/21/22-36/37/38
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:36-37/39-26
36:Wear suitable protective clothing
37/39:Wear suitable protective clothing, gloves and eye/face protection
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany:3
HazardClass:IRRITANT
Hazard Note:Irritant
【Specification】

off-white to beige crystalline powder
usageEng:suzuki reaction
Safety Statements:36-37/39-26
36:Wear suitable protective clothing
37/39:Wear suitable protective clothing, gloves and eye/face protection
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice

Use and Manufacturing

【Use and Manufacturing】
suzuki reaction
【Usage】
suzuki reaction

Biomedical Effects and Toxicity

【Therapeutic Uses】
suzuki reaction

Supplier Location

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Business Type:Distributor/Wholesaler
Telephone:86-21-61124658

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