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6334-18-5 molecular structure
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2,3-dichlorobenzaldehyde

ChemBase ID: 70559
Molecular Formular: C7H4Cl2O
Molecular Mass: 175.01206
Monoisotopic Mass: 173.96392011
SMILES and InChIs

SMILES:
C(=O)c1c(c(ccc1)Cl)Cl
Canonical SMILES:
O=Cc1cccc(c1Cl)Cl
InChI:
InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
InChIKey:
LLMLNAVBOAMOEE-UHFFFAOYSA-N

Cite this record

CBID:70559 http://www.chembase.cn/molecule-70559.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dichlorobenzaldehyde
IUPAC Traditional name
2,3-dichlorobenzaldehyde
Synonyms
2,3-Dichlorobenzaldehyde
2,3-Dichlorobenzaldehyde 98%
2,3-Dichlorobenzaldehyde
2,3-二氯苯甲醛
CAS Number
6334-18-5
EC Number
228-711-3
MDL Number
MFCD00010127
Beilstein Number
508198
PubChem SID
24861779
24855269
162036274
PubChem CID
35745

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8938375  LogD (pH = 7.4) 2.8938375 
Log P 2.8938375  Molar Refractivity 42.2516 cm3
Polarizability 16.058407 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
61-65°C expand Show data source
62-64°C expand Show data source
64-67 °C(lit.) expand Show data source
Boiling Point
143-145°C/30mm expand Show data source
143-145°C/30mm expand Show data source
Flash Point
135°C expand Show data source
135°C(275°F) expand Show data source
Density
1.33 expand Show data source
1.330 expand Show data source
Storage Warning
Air Sensitive expand Show data source
Corrosive/Air Sensitive/Store under Argon expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
UN1759 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
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
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
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
≥98.0% expand Show data source
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Linear Formula
Cl2C6H3CHO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 254835 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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