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Molecule
ID:79062
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₇H₆ClNO
Molecular Mass
155.58164
Exact Mass
155.0137915
Charge
0
InChI
InChI=1S/C7H6ClNO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
BLNVISNJTIRAHF-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc(cc1)Cl
Isomeric Smiles
O=C(c1ccc(cc1)Cl)N
Calculated Properties
JChem
Acid pKa
14.296142
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4279302
LogD (pH = 7.4)
1.4279308
Log P
1.4279308
Molar Refractivity
39.9412
Polarizability
15.057202
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
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IUPAC name
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IUPAC Traditional name
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Synonyms
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Product Information
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Safety Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR21497
MP Biomedicals
05206184
Sigma Aldrich
C23802
Bide Pharmatech
BD4582
Alfa Aesar
A13809
Academic Data
PubChem
12084
Names and Identifiers
IUPAC name
4-chlorobenzamide
IUPAC Traditional name
4-chlorobenzamide
Synonyms
4-chlorobenzamide
p-CHLOROBENZAMIDE
4-Chlorobenzamide
4-氯苯甲酰胺
Registration numbers
PubChem SID
24892322
162043825
EC Number
210-601-1
MDL Number
MFCD00007993
CAS Number
619-56-7
PubChem CID
12084
Beilstein Number
774622
Properties
Product Information
Certificate of Analysis
Download link
Source
Linear Formula
ClC6H4CONH2
Source
Purity
98%
Source
95+%
Source
98+%
Source
Safety Information
MSDS Link
Download link
Source
Download link
Source
RTECS
CV2443811
Source
GHS Precautionary statements
P305+P351+P338
Source
P261
-
P301+P310
-
P305+P351+P338
-
P302+P352
-
P405
-P501A
Source
Risk Statements
22
-
36
Source
22
-
36/37/38
Source
Safety Statements
26
Source
26
-
36/37
Source
German water hazard class
3
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Source
GHS Signal Word
Warning
Source
GHS Hazard statements
H302
-
H319
Source
H301
-
H315
-
H319
-
H335
Source
European Hazard Symbols
Harmful (Xn)
Source
Harmful (X)
Source
TSCA Listed
否
Source
Physical Property
Melting Point
172-176 °C(lit.)
Source
176-180°C
Source
Molecule Details
MP Biomedicals
05206184
MP Biomedicals Rare Chemical collection
Sigma Aldrich
C23802
Packaging
10 g in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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PubChem SID
•
EC Number
•
MDL Number
•
CAS Number
•
PubChem CID
•
Beilstein Number
Harmful (Xn)