3,5-Dibromo-2-ethoxybenzaldehyde

HCID 291807CAS 61657-67-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1c(Br)cc(Br)cc1C=O
InChIKey
MHBMBLXXEWUFSQ-UHFFFAOYSA-N
Molecular formula
C9H8Br2O2
Average molar mass
307.97 g/mol
Monoisotopic mass
305.8891037

Names & identifiers

Preferred name
3,5-Dibromo-2-ethoxybenzaldehyde
IUPAC
3,5-dibromo-2-ethoxybenzaldehyde
English name
3,5-Dibromo-2-ethoxybenzaldehyde
Molecular formula
C9H8Br2O2
Molecular weight
307.97

Names & synonyms

3,5-dibromo-2-ethoxybenzaldehyde61657-67-8MFCD00087286Benzaldehyde,3,5-dibromo-2-ethoxy-NSC157342SCHEMBL7815397DTXSID60303206MHBMBLXXEWUFSQ-UHFFFAOYSA-N3,5-dibromo-2-ethoxy-benzaldehydeLCA65767SBB035866STK398332
Show more names
AKOS B028996AKOS BBS-00006762ZERENEX E/4048025Benzaldehyde, 3,5-dibromo-2-ethoxy-
AKOS000268961NSC-157342DB-053961CS-0221621ST45067830EN300-09612H80804SR-01000053045

Database identifiers

CAS
61657-67-8
PubChem CID
291807
DTXSID
DTXSID60303206

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Melting point
87 °C · 87 °C
Boiling point
343 · 343.0±37.0 °C(Predicted)
Density
1.77 · 1.770±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H312-H332

Safety & regulation

Safety data

hs_code
2913000090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H302-H312-H332

Chemistry & industry

Upstream & downstream products

Suppliers4 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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