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2303-17-5 molecular structure
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N,N-bis(propan-2-yl)[(2,3,3-trichloroprop-2-en-1-yl)sulfanyl]formamide

ChemBase ID: 158078
Molecular Formular: C10H16Cl3NOS
Molecular Mass: 304.66414
Monoisotopic Mass: 303.00181818
SMILES and InChIs

SMILES:
CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl
Canonical SMILES:
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C
InChI:
InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3
InChIKey:
MWBPRDONLNQCFV-UHFFFAOYSA-N

Cite this record

CBID:158078 http://www.chembase.cn/molecule-158078.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-bis(propan-2-yl)[(2,3,3-trichloroprop-2-en-1-yl)sulfanyl]formamide
IUPAC Traditional name
triallate
Synonyms
S-(2,3,3-Trichloroallyl) N,N-diisopropylthiocarbamate
Triallat
Triallat
Tri-allate
S-(2,3,3-三氯烯丙基)-N,N-二异丙基硫代氨基甲酸酯
野麦畏
野麦畏
野燕畏
CAS Number
2303-17-5
EC Number
218-962-7
MDL Number
MFCD00078730
Beilstein Number
1875853
PubChem SID
162252214
24869263
24899236
PubChem CID
5543

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5543 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8004062  LogD (pH = 7.4) 3.8004062 
Log P 3.8004062  Molar Refractivity 84.9951 cm3
Polarizability 28.845142 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
EZ8575000 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
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
22-43-48/22-50/53 expand Show data source
Safety Statements
24-37-60-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H317-H373-H410 expand Show data source
GHS Precautionary statements
P273-P280-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, 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
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Empirical Formula (Hill Notation)
C10H16Cl3NOS expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 45695 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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