Phenol, 4-bromo-, 1-acetate

HCID 74726CAS 1927-95-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Oc1ccc(Br)cc1
InChIKey
XEXHCQJRVMVJMY-UHFFFAOYSA-N
Molecular formula
C8H7BrO2
Average molar mass
215.04 g/mol
Monoisotopic mass
213.96294

Names & identifiers

Preferred name
Phenol, 4-bromo-, 1-acetate
IUPAC
(4-bromophenyl) acetate
English name
4-Bromophenol acetate
Molecular formula
C8H7BrO2
Molecular weight
215.04

Names & synonyms

4-Bromophenyl acetate4-Bromophenol acetatep-Acetoxybromobenzene4-BromoacetoxybenzenePhenol, p-bromo-, acetatePhenol, 4-bromo-, 1-acetateEINECS 217-668-6NSC 404083AI3-17302Acetic acid, 4-bromophenyl esterDTXSID00883774EC 217-668-6
Show more names
4-BROMOPHENYLACETATEp-bromophenylacetate4-bromo-phenoacetatep-Bromophenyl acetate4-Acetoxybromobenzene2-(4-bromophenyl)acetate
RefChem:172815Phenol, p-bromo-, acetate (6CI,7CI,8CI)DTXCID601023263217-668-6XEXHCQJRVMVJMY-UHFFFAOYSA-N1927-95-3(4-bromophenyl) acetateAcetic acid 4-bromophenyl ester

Database identifiers

CAS
1927-95-3
PubChem CID
74726
DTXSID
DTXSID00883774
ChEMBL
CHEMBL456665
EC Number
217-668-6
Nikkaji
J122.290B

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Kovats Retention Index1292.2

Physicochemical properties

Melting point
21.5 °C · 21.5 °C
Boiling point
251 ℃ · 251℃
Density
1.501 · 1.501
Flash point
106 ℃ · 106℃
storage temp.
Sealed in dry,Room Temperature
form
liquid

Safety & regulation

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 01-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/1961

Regulatory information

Regulatory InformationStatus: Cease Manufacture Update: 01-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/1961

Safety data

tsca
TSCA listed
hs_code
2916340000
Signal word
Danger
Symbol(GHS)
GHS07,GHS08,GHS09
Hazard statements
H315-H317-H411-H372
REACH Registrations
Inactive

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 4-bromo-, 1-acetate: INACTIVE

Upstream & downstream products

Suppliers50 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
怀化宝华生物科技有限公司0519-82698292 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
安徽合诺生物科技有限公司0555-2761852

Related reactions

18 records
New reaction record

Linked notes

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