Home > Compound List > Compound details
107-20-0 molecular structure
click picture or here to close

2-chloroacetaldehyde

ChemBase ID: 89486
Molecular Formular: C2H3ClO
Molecular Mass: 78.49762
Monoisotopic Mass: 77.9872424
SMILES and InChIs

SMILES:
O=CCCl
Canonical SMILES:
ClCC=O
InChI:
InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2
InChIKey:
QSKPIOLLBIHNAC-UHFFFAOYSA-N

Cite this record

CBID:89486 http://www.chembase.cn/molecule-89486.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloroacetaldehyde
IUPAC Traditional name
chloroacetaldehyde
Synonyms
CHLORO ACETALDEHYDE, 45% IN WATER
2-Chloroethanal
Chloroacetaldehyde 45% w/w
Chloroacetaldehyde solution
CLACH
氯乙醛 溶液
CAS Number
107-20-0
EC Number
203-472-8
MDL Number
MFCD00006992
Beilstein Number
1071226
PubChem SID
162076366
24859068
24846858
24853642
PubChem CID
33

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.839859  H Acceptors
H Donor LogD (pH = 5.5) 0.15538165 
LogD (pH = 7.4) 0.1553661  Log P 0.15538184 
Molar Refractivity 16.4715 cm3 Polarizability 6.4189663 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
-28 to -23°C expand Show data source
Boiling Point
80-100 °C(lit.) expand Show data source
80-100°C expand Show data source
Flash Point
143.6 °F expand Show data source
62 °C expand Show data source
62°C expand Show data source
Density
1.19 g/ml expand Show data source
1.214 expand Show data source
1.217 g/mL at 20 °C expand Show data source
1.236 g/mL at 25 °C expand Show data source
Refractive Index
1.4060 expand Show data source
n20/D 1.4036 expand Show data source
n20/D 1.407 expand Show data source
Storage Warning
Very Toxic/Corrosive/Carcinogenic/Air Sensitive/Store under Argon expand Show data source
RTECS
AB2450000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2232 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
24/25-26-35-40-50 expand Show data source
R:24/25-26-34-40-50 expand Show data source
Safety Statements
26-28-36/37/39-45-61 expand Show data source
S:26-28-45-61-36/37/39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301 + H311-H314-H335-H351-H400 expand Show data source
H301-H311-H314-H330-H335-H351-H400 expand Show data source
GHS Precautionary statements
P260-P273-P280-P284-P301 + P310-P305 + P351 + P338 expand Show data source
P261-P273-P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2232 6.1/PG 1 expand Show data source
Concentration
~50 wt. % in H2O expand Show data source
~55% in H2O (T) expand Show data source
≥45.0% in H2O (density determination) expand Show data source
Grade
produced by Wacker expand Show data source
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
ClCH2CHO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05221284 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 317276 external link
Packaging
1 L in glass bottle
5, 250 mL in glass bottle
Sigma Aldrich - 10907 external link
Other Notes
prices for bulk quantities on request
Packaging
1 kg 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