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5814-05-1 molecular structure
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2-chlorobenzohydrazide

ChemBase ID: 52314
Molecular Formular: C7H7ClN2O
Molecular Mass: 170.59628
Monoisotopic Mass: 170.02469053
SMILES and InChIs

SMILES:
C(=O)(c1c(cccc1)Cl)NN
Canonical SMILES:
NNC(=O)c1ccccc1Cl
InChI:
InChI=1S/C7H7ClN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey:
KPPNLSKVTKSSTG-UHFFFAOYSA-N

Cite this record

CBID:52314 http://www.chembase.cn/molecule-52314.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chlorobenzohydrazide
IUPAC Traditional name
benzoylhydrazine, O-chloro
Synonyms
2-Chlorobenzoic acid hydrazide
2-Chlorobenzhydrazide
2-Chlorobenzhydrazide
2-chlorobenzene-1-carbohydrazide
2-Chlorobenzoic hydrazide
2-氯苯甲酰肼
CAS Number
5814-05-1
EC Number
227-380-2
MDL Number
MFCD00007597
Beilstein Number
972229
PubChem SID
162057077
24855447
PubChem CID
79883

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.040589  H Acceptors
H Donor LogD (pH = 5.5) 1.1306947 
LogD (pH = 7.4) 1.1314446  Log P 1.1314551 
Molar Refractivity 44.4253 cm3 Polarizability 16.503942 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
116-118°C expand Show data source
116-120°C expand Show data source
118-120 °C(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
98+% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
ClC6H4CONHNH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05209825 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 259993 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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