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4′-Chloro-4-biphenylol

4′-Chloro-4-biphenylol structure

CAS No:
28034-99-3
Formula:
C12H9ClO
Chemical Name:
4′-Chloro-4-biphenylol
Synonyms:
[1,1′-Biphenyl]-4-ol,4′-chloro-;4-Biphenylol,4′-chloro-;Phenol,p-(p-chlorophenyl)-;4′-Chloro[1,1′-biphenyl]-4-ol;p-Chloro-p′-hydroxybiphenyl;4-(4-Chlorophenyl)phenol;4-Chloro-4′-hydroxybiphenyl;4′-Chloro-4-biphenylol;4′-Hydroxy-4-chlorobiphenyl;4-Hydroxy-4′-chlorobiphenyl;4-(4′-Chlorophenyl)phenol;4-Chloro-4′-biphenylol
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

4-Chloro-4'-biphenylol is a member of biphenyls and a member of monochlorobenzenes.

4′-Chloro-4-biphenylol Basic Attributes

Molecular Weight：

204.65

Exact Mass：

204.65

UNII：

IN91367N9R

NSC Number：

107539

DSSTox ID：

DTXSID5022354

HScode：

2907199090

Characteristics

PSA：

20.2

XLogP3：

3.77

Density：

1.2±0.1 g/cm3

Melting Point：

146-147 °C @ Solvent: Water, Ligroine

Boiling Point：

335.0±17.0 °C at 760 mmHg

Flash Point：

156.4±20.9 °C

Refractive Index：

1.615

Collision Cross Section：

147.8 Å² [M-H]-

Safety Information

hazard class code：

36/37/38

safety instructions：

36/37/39

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (80%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-chloro-4'-biphenylol

Computed Properties

Molecular Weight:204.65
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:204.0341926
Monoisotopic Mass:204.0341926
Topological Polar Surface Area:20.2
Heavy Atom Count:14
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes