Benzeneacetic acid, 4-bromo-

HCID 74654CAS 1878-68-8
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Basic information

Standard SMILES
O=C(O)Cc1ccc(Br)cc1
InChIKey
QOWSWEBLNVACCL-UHFFFAOYSA-N
Molecular formula
C8H7BrO2
Average molar mass
215.04 g/mol
Monoisotopic mass
213.96294156

Overview

4-Bromophenyl acetate is a monocarboxylic acid.

Names & identifiers

Preferred name
Benzeneacetic acid, 4-bromo-
IUPAC
2-(4-bromophenyl)acetic acid
English name
4-Bromophenylacetic acid
Molecular formula
C8H7BrO2
Molecular weight
215.04

Names & synonyms

4-Bromophenylacetic acid1878-68-82-(4-Bromophenyl)acetic acid(4-Bromophenyl)acetic acidBenzeneacetic acid, 4-bromo-P-BROMOPHENYLACETIC ACID4-Bromobenzeneacetic acid4-Bromophenyl acetic acid(p-Bromophenyl)acetic acidAcetic acid, (p-bromophenyl)-p-BromphenylessigsaureNSC 14358
Show more names
PARA BROMO PHENYL ACETIC ACID4-bromo-benzeneaceticaci4-Bromobenzeneaceticacid(p-bromophenyl)-aceticaci4BPAAASISCHEM D13369AKOS BBS-00007001
p-Bromphenylessigsaure [German]BRN 0972146Acide p-bromophenylacetiqueAcide p-bromophenylacetique [French]EINECS 217-523-7DTXSID20620323-09-00-02275 (Beilstein Handbook Reference)RefChem:562864

Database identifiers

CAS
1878-68-8
PubChem CID
74654
DTXSID
DTXSID2062032
ChEBI
CHEBI:1790
UNII
WA6UT8W6AJ
EC Number
217-523-7
Nikkaji
J79.192J

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

LogP2.31

Physicochemical properties

Melting point
114 · 114-117 °C(lit.)
Boiling point
252.95 °C · 252.95°C (rough estimate)
Density
1.5313 · 1.5313 (rough estimate)
refractive index
1.462 · 1.4620 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
5 %, · ethanol: soluble5%, clear, colorless to light yellow

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (83.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

4-Bromophenylacetic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (83.7%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
AF6325000
hs_code
29163900
risk_code
22-36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzeneacetic acid, 4-bromo-: ACTIVE

Applications

Uses4-Bromophenylacetic acid was used as standard in the extraction of nonylphenol polyethoxy carboxylates with 1-4 ethoxy groups from sludge samples.

Preparation methods · 1 item

Preparation50g of p-bromophenylacetone and 12.8g of sulfur were uniformly mixed with 30mL of morpholine and refluxed for 8 hours. Then, an ethanol solution containing NaOH was added and refluxed for another 6 hours. The reactants were then poured into water to distill off the ethanol. After acidification, cooling, and filtration, 25g of crude product was obtained. The crude product was purified by recrystallization with water to obtain 4-Bromophenylacetic acid.

Upstream & downstream products

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

Additional notes

DefinitionChEBI: 4-Bromophenyl acetate is a monocarboxylic acid.

Related reactions

297 records
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Linked notes

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