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1,3-Benzenediboronicacid

1,3-Benzenediboronicacid structure

CAS No:
4612-28-6
Formula:
C6H8B2O4
Chemical Name:
1,3-Benzenediboronicacid
Synonyms:
1,3-Benzendiboronicacid;1,3-BenzendibororicAcid;1,3-BENZENEDIBORONICACID;1,3-Phenylenediboronicacid;1,3-Benzenediboronicacid,97%;(3-boronophenyl)boronicacid;[3-(dihydroxyboranyl)phenyl]boronicacid;{2-[(hydroxyboranyl)oxy]phenyl}boronicacid
Categories:
Organic Chemistry > Coordination Complexes

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Description

solid

1,3-Benzenediboronicacid Basic Attributes

Molecular Weight：

165.75

Exact Mass：

166.060867

NSC Number：

25409

DSSTox ID：

DTXSID10282315

HScode：

29310095

Characteristics

PSA：

80.9

XLogP3：

-2.95380

Density：

1.3±0.1 g/cm3

Melting Point：

>300°C

Boiling Point：

456.4°C at 760 mmHg

Flash Point：

229.8±31.5 °C

Refractive Index：

1.555

Water Solubility：

Slightly soluble in water.

Safety Information

hazard class code：

36/37/38-20/21/22

safety instructions：

26-36/37/39-36

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:165.75
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:166.0608691
Monoisotopic Mass:166.0608691
Topological Polar Surface Area:80.9
Heavy Atom Count:12
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 4612-28-6

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1,3-Benzenediboronic Acid 4612-28-6

CAS No.: 4612-28-6

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Content: 99%

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