2-Bromo-3-nitrobenzaldehyde

HCID 13162408CAS 90407-21-9
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1cccc([N+](=O)[O-])c1Br
InChIKey
ZAYPDOMLBUBLDN-UHFFFAOYSA-N
Molecular formula
C7H4BrNO3
Average molar mass
230.02 g/mol
Monoisotopic mass
228.93745509

Names & identifiers

Preferred name
2-Bromo-3-nitrobenzaldehyde
IUPAC
2-bromo-3-nitrobenzaldehyde
English name
2-BroMo-3-nitrobenzaldehyde
Molecular formula
C7H4BrNO3
Molecular weight
230.02

Names & synonyms

2-BROMO-3-NITROBENZALDEHYDE90407-21-9DTXSID20523685RefChem:85684DTXCID10474490Benzaldehyde, 2-bromo-3-nitro-MFCD155275952-bromo-3-nitro-benzaldehydeSCHEMBL6293613SCHEMBL10825048ZAYPDOMLBUBLDN-UHFFFAOYSA-NCL8255
Show more names
AKOS015920315CS-W005406DS-17129SY047873DB-364749EN300-187989F079835Z1269125956

Database identifiers

CAS
90407-21-9
PubChem CID
13162408
DTXSID
DTXSID20523685
Nikkaji
J1.238.498J

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
62.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
276.9 · 276.9±25.0 °C(Predicted)
Density
1.781 · 1.781±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
solid
color
Light yellow to brown
InChI
InChI=1S/C7H4BrNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H

Safety & regulation

Safety data

hs_code
2913000090
Signal word
Warning
Symbol(GHS)
GHS07,GHS09
Hazard statements
H315-H317-H319-H400
Precautionary statements
P261-P271-P280

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州理文科技有限公司18028686850 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

Loading…