Pethoxamid

HCID 6450826CAS 106700-29-2

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Basic information

Standard SMILES: CCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1
InChIKey: CSWIKHNSBZVWNQ-UHFFFAOYSA-N
Molecular formula: C16H22ClNO2
Average molar mass: 295.81 g/mol
Monoisotopic mass: 295.13390662

Names & identifiers

Preferred name: Pethoxamid
IUPAC: 2-Chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-en-1-yl)acetamide
English name: PETHOXAMID
Molecular formula: C16H22ClNO2
Molecular weight: 295.8

Names & synonyms

NSK-68tkc-94PETHOXAMIDC16000500 Pethoxamidpethoxamid (bsi,pa iso)Paclobutrazol Impurity 7Pethoxamid@100 μg/mL in MethanolPethoxamid 10.0 μg/ml AcetonitrileN-(2-Ethoxyethyl)-N-(2-methyl-1-phenyl-1-propenyl)-2-chloroacetamide2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide

Database identifiers

CAS: 106700-29-2
PubChem CID: 6450826
DTXSID: DTXSID4057928
ChEMBL: CHEMBL2287834
ChEBI: CHEBI:83523
UNII: 352ZYP854D
EC Number: 600-765-6
Nikkaji: J440.077A

Properties

Physicochemical properties

Boiling point: 145 · 145-146 °C(Press: 0.17 Torr)
Density: 1.09 · 1.090±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -2.36 · -2.36±0.70(Predicted)
BRN: 4873772 · 4873772
Henry's Law Constant: 8.5 · 8.5×102 mol/(m3Pa) at 25℃, Maniere et al. (2011)
InChI: 1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3
InChIKey: CSWIKHNSBZVWNQ-UHFFFAOYSA-N
SMILES: CCOCCN(C(=O)CCl)C(=C(/C)C)\c1ccccc1
LogP: 1.208 · 1.208 (est)
FDA UNII: 352 ZYP854D · 352ZYP854D
EPA Substance Registry System: 2 · Acetamide, 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenyl-1-propen-1-yl)- (106700-29-2)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H317-H410
Precautionary statements: 273 · P273-P280-P301+P312+P330-P302+P352
Hazard Codes: Xn,N
Risk Statements: 22 · 22-43-50/53
Safety Statements: 24 · 24-37-46-60-61
RIDADR: 3077 · UN 3077 9 / PGIII
WGK Germany: 2 · 2
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1

Safety & regulation

Safety data

wgk: 2
ridadr: UN 3077 9 / PGIII
risk_code: 22-43-50/53
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xn,N
safety_code: 24-37-46-60-61
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H317-H410
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1
Precautionary statements: P273-P280-P301+P312+P330-P302+P352

Chemistry & industry

Applications

UsesPethoxamid is a preemergent herbicide.

Suppliers14 total

Syntechem Co.,Ltd[email protected]

上海毕楷科技有限公司18516304666

TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]

天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Additional notes

DefinitionChEBI: A monocarboxylic acid amide that is acetamide substituted by a chloro group at position 2 and a 2-ethoxyethyl and a 2-methyl-1-phenylprop-1-en-1-yl at the nitrogen atom. It is an agrochemical used as a herbicide.