Ethyl 3-bromobenzoate

HCID 90488CAS 24398-88-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cccc(Br)c1
InChIKey
QAUASTLEZAPQTB-UHFFFAOYSA-N
Molecular formula
C9H9BrO2
Average molar mass
229.07 g/mol
Monoisotopic mass
227.97859163

Names & identifiers

Preferred name
Ethyl 3-bromobenzoate
IUPAC
ethyl 3-bromobenzoate
English name
Ethyl 3-bromobenzoate
Molecular formula
C9H9BrO2
Molecular weight
229.07

Names & synonyms

Ethyl 3-bromobenzoate24398-88-7Benzoic acid, 3-bromo-, ethyl esterBenzoic acid, m-bromo-, ethyl esterEINECS 246-223-9QAUASTLEZAPQTB-UHFFFAOYSA-3-Bromobenzoic acid, ethyl esterDTXSID40179143RefChem:138681DTXCID70101634246-223-9InChI=1/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
Show more names
Ethyl 3-broMobenzoRARECHEM AL BI 0052ETHYL 3-BROMOBENZOATethyle3-bromobenzoateEthyl 3-Bromobenzoate >Ethyl 3-bromobenzoate ,97%Ethyl 3-bromobenzoate, 98+%3-(Ethoxycarbonyl)bromobenzeneEthyl 3-broMobenzoate, 98% 25GR
QAUASTLEZAPQTB-UHFFFAOYSA-N3-Bromobenzoic Acid Ethyl EsterMFCD00013529m-Bromobenzoic acid, ethyl esterSCHEMBL245137B1808EN300-1240330ethyl-3-bromobenzoate

Database identifiers

CAS
24398-88-7
PubChem CID
90488
DTXSID
DTXSID40179143
UNII
U8S6ZA5URZ
EC Number
246-223-9
Nikkaji
J104.745K

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Boiling point
130 · 130-131 °C/12 mmHg (lit.)
Density
1.431 g/mL · 1.431 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.541(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature
form
Liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

PPE
Eyeshields, Gloves
wgk
3
hs_code
29163990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesEthyl 3-bromobenzoate is used in the preparation of ethyl 3-ethynylbenzoate. It can react with p-tolyl-boronic acid, and obtain the 4'-methyl-biphenyl-3-carboxylic acid ethyl ester.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

Related reactions

43 records
New reaction record

Linked notes

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