4-Bromo-4'-hydroxybiphenyl

HCID 95093CAS 29558-77-8

Basic information

Standard SMILES
Oc1ccc(-c2ccc(Br)cc2)cc1
InChIKey
ARUBXNBYMCVENE-UHFFFAOYSA-N
Molecular formula
C12H9BrO
Average molar mass
249.1 g/mol
Monoisotopic mass
247.98367701

Names & identifiers

Preferred name
4-Bromo-4'-hydroxybiphenyl
IUPAC
4-(4-bromophenyl)phenol
English name
4-Bromo-4'-hydroxybiphenyl
Molecular formula
C12H9BrO
Molecular weight
249.1

Names & synonyms

29558-77-84-Bromo-4'-hydroxybiphenyl4'-Bromo-[1,1'-biphenyl]-4-ol[1,1'-Biphenyl]-4-ol, 4'-bromo-4'-Bromo-(1,1'-biphenyl)-4-ol(1,1'-Biphenyl)-4-ol, 4'-bromo-FW4M61S0BBNSC 130468UNII-FW4M61S0BBNSC-130468DTXSID40183740RefChem:98139
Show more names
NSC 172844-(4-BROMPHENYL)-PHENOL4-hydroxy-4'-bromobenzene4-(4-Bromophenyl)phenol,97%
DTXCID80106231608-376-3ARUBXNBYMCVENE-UHFFFAOYSA-N4-(4-Bromophenyl)phenol4'-Bromobiphenyl-4-ol4-HYDROXY-4'-BROMOBIPHENYL4-(4'-bromophenyl)phenolMFCD00059076

Database identifiers

CAS
29558-77-8
PubChem CID
95093
DTXSID
DTXSID40183740
UNII
FW4M61S0BB
EC Number
608-376-3
Nikkaji
J22.011F

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
14

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure
Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
164 · 164-166 °C(lit.)
Boiling point
355.5 · 355.5±17.0 °C(Predicted)
Density
1.4188 · 1.4188 (rough estimate)
refractive index
1.513 · 1.5130 (estimate)
storage temp.
Sealed in dry,Room Temperature
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
hs_code
29081990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications · 1 item

UsesA biphenyl starting material. 4-Bromo-(1,1-biphenyl)-4-ol is a useful intermediate. Vinylation of 4-bromo-4-hydroxybiphenyl and ethyl acrylate using Pd (OAc) 2/PPh 3 catalyst was studied. Ethyl 4-(4-hydroxyphenyl) cinnamate was formed as the vinylation product, while, 4-hydroxybiphenyl and ethyl cinnamate were formed as side products. Preparation of 4-cyano-4'-hydroxybiphenyl This was prepared from 4-bromo-4'-benzenesulphonyloxybiphenyl by first hydrolysing it to 4-bromo-4-hydroxybiphenyl using sodium hydroxide dissolved in a mixture of water and dioxan. The syntheses of the Nanocomposite dendrimers based on cyclic phosphazene cores: Amorphous materials, were accomplished by following a modified literature procedure by reacting phosphonitrilic chloride trimer with 4-bromophenol or 4-bromo-4-hydroxybiphenyl, respectively, in the presence of K 2 CO 3 in tetrahydrofuran (THF).

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [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]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

90 records

Linked notes

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