Home > Compound List > Compound details
56961-75-2 molecular structure
click picture or here to close

2,3,5-trichlorobenzaldehyde

ChemBase ID: 148728
Molecular Formular: C7H3Cl3O
Molecular Mass: 209.45712
Monoisotopic Mass: 207.92494776
SMILES and InChIs

SMILES:
c1c(cc(c(c1C=O)Cl)Cl)Cl
Canonical SMILES:
O=Cc1cc(Cl)cc(c1Cl)Cl
InChI:
InChI=1S/C7H3Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H
InChIKey:
DJYRZTCLVDKWBL-UHFFFAOYSA-N

Cite this record

CBID:148728 http://www.chembase.cn/molecule-148728.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,5-trichlorobenzaldehyde
IUPAC Traditional name
2,3,5-trichlorobenzaldehyde
Synonyms
2,3,5-Trichlorobenzaldehyde
2,3,5-Trichlorobenzaldehyde
2,3,5-三氯苯甲醛
CAS Number
56961-75-2
MDL Number
MFCD00010860
PubChem SID
24857577
162242903
PubChem CID
92596

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 92596 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4978821  LogD (pH = 7.4) 3.4978821 
Log P 3.4978821  Molar Refractivity 47.0564 cm3
Polarizability 18.013807 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
73-75 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Purity
98% expand Show data source
Linear Formula
Cl3C6H2CHO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 292338 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle