Home > Compound List > Compound details
15545-48-9 molecular structure
click picture or here to close

1-(3-chloro-4-methylphenyl)-3,3-dimethylurea

ChemBase ID: 126550
Molecular Formular: C10H13ClN2O
Molecular Mass: 212.67602
Monoisotopic Mass: 212.07164073
SMILES and InChIs

SMILES:
Clc1cc(NC(=O)N(C)C)ccc1C
Canonical SMILES:
O=C(N(C)C)Nc1ccc(c(c1)Cl)C
InChI:
InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKey:
JXCGFZXSOMJFOA-UHFFFAOYSA-N

Cite this record

CBID:126550 http://www.chembase.cn/molecule-126550.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-chloro-4-methylphenyl)-3,3-dimethylurea
IUPAC Traditional name
chlortoluron
Synonyms
3-(3-Chloro-4-methyl)-1,1-dimethylurea
Chlortoluron
N'-(3-Chloro-4-methylphenyl)-N,N-dimethyl-urea
1,1-Dimethyl-3-(3-chloro-4-methylphenyl)urea
1-(3-Chloro-4-methyl)-3,3-dimethylurea
3-(3-Chloro-p-tolyl)-1,1-dimethylurea
Dicuran
Dicuran 500FL
Lentipur Flo
Lentipur Forte
N,N-Dimethyl-N'-(3-chloro-4-methylphenyl)urea
N-(3-Chloro-4-methylphenyl)-N',N'-dimethylurea
Syncuran
Tolurex
Chlorotoluron
Chlortoluron
3-(3-Chloro-4-methylphenyl)-1,1-dimethylurea
N'-(3-氯-4-甲基苯基)-N,N-二甲基脲
绿麦隆
CAS Number
15545-48-9
EC Number
239-592-2
MDL Number
MFCD00018275
Beilstein Number
2647688
PubChem SID
162220882
24868874
PubChem CID
27375
Chemspider ID
25472
Wikipedia Title
Chlortoluron

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.533439  H Acceptors
H Donor LogD (pH = 5.5) 2.4422288 
LogD (pH = 7.4) 2.4422286  Log P 2.4422288 
Molar Refractivity 59.2371 cm3 Polarizability 21.828154 Å3
Polar Surface Area 32.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
YS7230000 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
63-40-50/53 expand Show data source
Safety Statements
26-36/37-46-60-61 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-H361-H410 expand Show data source
GHS Precautionary statements
P273-P281-P501 expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
95+% expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C10H13ClN2O expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 45400 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Nelieu, S., et al.: Environ. Toxicol. Chem., 29, 2644 (2010)
  • • Aguilera-Luiz, M., et al.: Anal. Bioanal. Chem., 399, 2863 (2010)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle