Home > Compound List > Compound details
3024-72-4 molecular structure
click picture or here to close

3,4-dichlorobenzoyl chloride

ChemBase ID: 145530
Molecular Formular: C7H3Cl3O
Molecular Mass: 209.45712
Monoisotopic Mass: 207.92494776
SMILES and InChIs

SMILES:
c1cc(c(cc1C(=O)Cl)Cl)Cl
Canonical SMILES:
ClC(=O)c1ccc(c(c1)Cl)Cl
InChI:
InChI=1S/C7H3Cl3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H
InChIKey:
VTXNOVCTHUBABW-UHFFFAOYSA-N

Cite this record

CBID:145530 http://www.chembase.cn/molecule-145530.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4-dichlorobenzoyl chloride
IUPAC Traditional name
3,4-dichlorobenzoyl chloride
Synonyms
3,4-Dichlorobenzoyl chloride
3,4-dichlorobenzoyl chloride
3,4-二氯苯甲酰氯
CAS Number
3024-72-4
EC Number
221-177-2
MDL Number
MFCD00000672
Beilstein Number
607485
PubChem SID
162239735
24847052
PubChem CID
76403

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 76403 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3722477  LogD (pH = 7.4) 3.3722477 
Log P 3.3722477  Molar Refractivity 46.7823 cm3
Polarizability 17.987118 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
30 - 33°C expand Show data source
30-33 °C expand Show data source
30-33 °C(lit.) expand Show data source
30-34°C expand Show data source
Boiling Point
242 °C(lit.) expand Show data source
242°C expand Show data source
Flash Point
142 °C expand Show data source
142°C(287°F) expand Show data source
287.6 °F expand Show data source
Hydrophobicity(logP)
2.872 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
UN3261 expand Show data source
MSDS Link
Download expand Show data source
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
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-27-28-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
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
≥97.0% (T) expand Show data source
95% expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Linear Formula
Cl2C6H3COCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 111945 external link
Packaging
25, 100 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