p-Bromophenoxyacetic acid

HCID 74657CAS 1878-91-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)COc1ccc(Br)cc1
InChIKey
SZEBGAQWWSUOHT-UHFFFAOYSA-N
Molecular formula
C8H7BrO3
Average molar mass
231.04 g/mol
Monoisotopic mass
229.95786

Names & identifiers

Preferred name
p-Bromophenoxyacetic acid
IUPAC
2-(4-bromophenoxy)acetic acid
English name
p-Bromophenoxyacetic acid
Molecular formula
C8H7BrO3
Molecular weight
231.04

Names & synonyms

p-Bromophenoxyacetic acidbromophenoxyacetic acidRefChem:5521061878-91-74-Bromophenoxyacetic acid2-(4-bromophenoxy)acetic acid(4-Bromophenoxy)acetic acidAcetic acid, (4-bromophenoxy)-Acetic acid, 2-(4-bromophenoxy)-p-Bromophenoxyacetatep-Bromophenoxyacetic acvidAcetic acid, (p-bromophenoxy)-
Show more names
AKOS BBB/216AKOS BBS-00001063IFLAB-BB F1924-0026p-BroMophenoxyaceticLABOTEST-BB LT000003284-BroMophenoxacetic acid2-(4-bromophenoxy)acetate
MFCD00093070QM8SNH9TP7NSC-650854-BromophenoxyaceticAcidEINECS 217-530-5NSC 65085p-BromophenoxyaceticacidEnamine_001972

Database identifiers

CAS
1878-91-7
PubChem CID
74657
DTXSID
DTXSID2062034
ChEMBL
CHEMBL173307
UNII
QM8SNH9TP7
EC Number
217-530-5
Nikkaji
J137.006E

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Melting point
149 · 149-153 °C(lit.)
Boiling point
337.9 · 337.9±17.0 °C(Predicted)
Density
1.6494 · 1.6494 (rough estimate)
refractive index
1.473 · 1.4730 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
soluble in Methanol

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29189900
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetic acid, 2-(4-bromophenoxy)-: INACTIVE

Applications

Uses4-Bromophenoxyacetic acid may be used as a starting material in the preparation of radioiodinated phenoxyacetic acid derivatives with potential application as radiopharmaceuticals.

General Description4-Bromophenoxyacetic acid, also known as p-bromophenoxyacetate, is a phenoxyalkanoic acid derivative. It is a chemical elicitor that can induce β-glucuronidase (GUS) activity in rice.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

Related reactions

25 records
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Linked notes

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