Ethyl 2-bromo-5-nitrobenzoate

HCID 21190843CAS 208176-31-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cc([N+](=O)[O-])ccc1Br
InChIKey
YCHNRCVNPZZVED-UHFFFAOYSA-N
Molecular formula
C9H8BrNO4
Average molar mass
274.07 g/mol
Monoisotopic mass
272.96366984

Names & identifiers

Preferred name
Ethyl 2-bromo-5-nitrobenzoate
IUPAC
ethyl 2-bromo-5-nitrobenzoate
English name
Ethyl 2-broMo-5-nitrobenzoate
Molecular formula
C9H8BrNO4
Molecular weight
274.07

Names & synonyms

Ethyl 2-bromo-5-nitrobenzoate208176-31-2MFCD12025203Benzoic acid, 2-bromo-5-nitro-, ethyl esterEthyl2-bromo-5-nitrobenzoateethyl 2-bromo-5-nitro-benzoate2-bromo-5-nitrobenzoic acid ethyl esterSCHEMBL7790042DTXSID40611255YCHNRCVNPZZVED-UHFFFAOYSA-NAKOS009485954AS-65721
Show more names
SY034821DB-066337CS-0138966F079157

Database identifiers

CAS
208176-31-2
PubChem CID
21190843
DTXSID
DTXSID40611255

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
72.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Density
1.594 · 1.594
storage temp.
Sealed in dry,Room Temperature
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers39 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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