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1664-98-8 molecular structure
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(2H2)formaldehyde

ChemBase ID: 150066
Molecular Formular: CH2O
Molecular Mass: 30.02598
Monoisotopic Mass: 30.01056468
SMILES and InChIs

SMILES:
C=O
Canonical SMILES:
C=O
InChI:
InChI=1S/CH2O/c1-2/h1H2
InChIKey:
WSFSSNUMVMOOMR-UHFFFAOYSA-N

Cite this record

CBID:150066 http://www.chembase.cn/molecule-150066.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H2)formaldehyde
IUPAC Traditional name
(2H2)formaldehyde
Synonyms
Formalin-d2
Formaldehyde-d2 solution
福尔马林-d2
甲醛-d2 溶液
CAS Number
1664-98-8
MDL Number
MFCD00144373
PubChem SID
162244228
24872765
PubChem CID
123127

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
492620 external link Add to cart Please log in.
Data Source Data ID
PubChem 123127 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.46697542  LogD (pH = 7.4) -0.46697542 
Log P -0.46697542  Molar Refractivity 6.307 cm3
Polarizability 2.676496 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)
Flash Point
>113 °C expand Show data source
>235.4 °F expand Show data source
Mass Shift
M+2 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38-40-43 expand Show data source
Safety Statements
26-36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H315-H317-H319-H332-H335-H351 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Concentration
~20 wt. % in D2O expand Show data source
Isotopic Purity
98 atom % D expand Show data source
Mol. Weight
mol wt 32.01 by atom % calculation expand Show data source
Linear Formula
DCDO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 492620 external link
Packaging
20 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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