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89-98-5 molecular structure
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2-chlorobenzaldehyde

ChemBase ID: 75841
Molecular Formular: C7H5ClO
Molecular Mass: 140.567
Monoisotopic Mass: 140.00289246
SMILES and InChIs

SMILES:
O=Cc1c(cccc1)Cl
Canonical SMILES:
O=Cc1ccccc1Cl
InChI:
InChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H
InChIKey:
FPYUJUBAXZAQNL-UHFFFAOYSA-N

Cite this record

CBID:75841 http://www.chembase.cn/molecule-75841.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chlorobenzaldehyde
IUPAC Traditional name
2-chlorobenzaldehyde
Synonyms
o-CHLOROBENZALDEHYDE
2-Chlorobenzaldehyde
O-Chloro-benzaldehyde
2-Chlorobenzaldehyde
2-Chlorobenzoic Aldehyde
2-Chlorophenylcarboxaldehyde
NSC 15347
O-Chlorobenzaldehyde
O-Chlorobenzenecarboxaldehyde
O-Chloroformylbenzene
2-Chlorobenzaldehyde
邻氯苯甲醛
2-氯苯甲醛
CAS Number
89-98-5
EC Number
201-956-3
MDL Number
MFCD00003304
Beilstein Number
385877
PubChem SID
24854053
162040759
24847637
PubChem CID
6996

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2897928  LogD (pH = 7.4) 2.2897928 
Log P 2.2897928  Molar Refractivity 37.4468 cm3
Polarizability 14.106667 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)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Clear Colourless Oil expand Show data source
Melting Point
10-12°C expand Show data source
11.6°C expand Show data source
9-11 °C(lit.) expand Show data source
9-12°C expand Show data source
Boiling Point
209-215 °C(lit.) expand Show data source
209-215°C expand Show data source
211.9°C expand Show data source
212°C expand Show data source
Flash Point
188.6 °F expand Show data source
87 °C expand Show data source
87°C expand Show data source
87°C(188°F) expand Show data source
Auto Ignition Point
746 °F expand Show data source
Density
1.248 g/mL at 25 °C(lit.) expand Show data source
1.249 expand Show data source
1.25 g/ml expand Show data source
Refractive Index
1.566 expand Show data source
1.5675 expand Show data source
n20/D 1.566(lit.) expand Show data source
n20/D 1.567 expand Show data source
Vapor Pressure
1.27 mmHg ( 50 °C) expand Show data source
Vapor Density
4.84 (vs air) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Air Sensitive expand Show data source
Corrosive/Light Sensitive/Air Sensitive/Store under Argon expand Show data source
RTECS
CU5075000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
UN3265 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
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
34 expand Show data source
R:34 expand Show data source
Safety Statements
26-45 expand Show data source
S:26-45 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-H227 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
P280-P305+P351+P338-P309-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3265 8/PG 3 expand Show data source
Purity
≥98.0% (GC) expand Show data source
97% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Impurities
≤2% 2-chlorobenzoic acid expand Show data source
Quality
dist. expand Show data source
Linear Formula
ClC6H4CHO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 124974 external link
Packaging
100, 500 g in glass bottle
Sigma Aldrich - 23470 external link
Caution
oxidizes easily

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • For experimental details for the direct conversion to the benzoyl chloride by reaction with chlorine, see: Org. Synth. Coll., 1, 155 (1941).
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PATENTS

PATENTS

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INTERNET

INTERNET

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