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101-21-3 molecular structure
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propan-2-yl N-(3-chlorophenyl)carbamate

ChemBase ID: 130599
Molecular Formular: C10H12ClNO2
Molecular Mass: 213.66078
Monoisotopic Mass: 213.05565631
SMILES and InChIs

SMILES:
CC(C)OC(=O)Nc1cccc(c1)Cl
Canonical SMILES:
CC(OC(=O)Nc1cccc(c1)Cl)C
InChI:
InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
InChIKey:
CWJSHJJYOPWUGX-UHFFFAOYSA-N

Cite this record

CBID:130599 http://www.chembase.cn/molecule-130599.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propan-2-yl N-(3-chlorophenyl)carbamate
IUPAC Traditional name
isopropyl m-chlorocarbanilate
Synonyms
Chlorpropham
Chlorpropham solution
Chloro-ICP
Chloropropham
Isopropyl N-(3-chlorophenyl)carbamate
N-3-氯苯氨基甲酸异丙酯
氯-ICP
氯普芬
氯苯胺灵
氯苯胺灵 溶液
CAS Number
101-21-3
EC Number
200-835-2
202-925-7
MDL Number
MFCD00037108
Beilstein Number
2211397
PubChem SID
24868868
24869444
24896050
162224877
PubChem CID
2728

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2728 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.893281  H Acceptors
H Donor LogD (pH = 5.5) 3.207675 
LogD (pH = 7.4) 3.2076735  Log P 3.207675 
Molar Refractivity 56.5168 cm3 Polarizability 21.473263 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
light tan crystalline expand Show data source
RTECS
FD8050000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-51/53 expand Show data source
Safety Statements
61 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H351-H373-H411 expand Show data source
GHS Precautionary statements
P273-P281 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
~95% expand Show data source
Concentration
100 ng/μL in acetonitrile expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Linear Formula
C10H12NO2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - I3877 external link
Biochem/physiol Actions
有丝分裂抑制剂;抑制植物新陈代谢。
Sigma Aldrich - 45829 external link
法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 45393 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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