2,6-ジクロロベンズアミド

2,6-ジクロロベンズアミド · 2,6‐ジクロロベンズアミド · 2,6‐ジクロロベンズアミド標準品 · ジクロベニル代謝産物E標準品 · 2,6-ジクロロベンズアミド標準品 · 2,6-BAM · TIMTEC-BB SBB008056 · 2,6-DICHLORBENZAMIDE

https://huagongshe.com/ja/chemical/16183

識別子と物理属性

CAS No.	2008-58-4
分子式	C7H5Cl2NO
平均分子量	190.02 g/mol
単同位体質量	188.97481914 g/mol
SMILES	NC(=O)c1c(Cl)cccc1Cl
InChIKey	JHSPCUHPSIUQRB-UHFFFAOYSA-N
PubChem CID	16183
ChEMBL	CHEMBL3184754
ChEBI	CHEBI:28435
EC No.	217-918-4
DTXSID	DTXSID7022170
現地名	2,6-ジクロロベンズアミド

化学・物理的性質

XLogP	0.8
極性表面積	43.1
水素結合供与体数	1
水素結合受容体数	1
回転可能結合数	1
重原子数	11
形式電荷	0
複雑度	153
物質分類	Nitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties	Nuclear quadrupole resonance spectroscopy
農薬	Environmental transformation -> Pesticide transformation products (metabolite, successor)Pesticides -> Herbicides -> Nitrile herbicides -> Transformation productsPesticide (2,6-dichlorobenzamide) -> USDA PDBPesticide degradation product
LogP（分配係数）	log Kow = 0.77
Color/Form	Crystals
溶解度	In water, 2.73X10+3 mg/L at 23 °Cアセトン（微量）、メタノール（微量）2.7g/L(22.5℃)
Decomposition	Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx), hydrogen chloride gas.
融点	198 °C196-199 °C(lit.)
蒸気圧	0.0000326 [mmHg]
Physical Description	Off-white powder[MSDSonline]
Stability/Shelf Life	Stable under recommended storage conditions.
Other Experimental Properties	log Kow = 1.54
沸点	266.5±30.0 °C(Predicted)
密度	1.2860 (rough estimate)
屈折率	1.5500 (estimate)
貯蔵条件	-20°C Freezer
外観・状態	結晶性粉末
pKa（酸解離定数）	14.73±0.50(Predicted)
色	白から茶灰色
BRN	1869103
ヘンリー定数	8.2×103 mol/(m3Pa) at 25℃, HSDB (2015)
CAS データベース	2008-58-4(CAS DataBase Reference)
NISTの化学物質情報	Benzamide, 2,6-dichloro-(2008-58-4)
EPAの化学物質情報	2,6-Dichlorobenzamide (2008-58-4)

化学的特性

white to brown-grey crystalline powder

安全性と法規制

規制情報	Chemical: Benzamide, 2,6-dichloro-Commission Regulation (EC) No 1490/20022,6-Dichlorobenzamide (BAM) is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
その他の安全情報	Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
有害性の概要	May cause irritation[MSDSonline] See Benzamide.
Special Reports	USEPA/Office of Prevention, Pesticides and Toxic SubstancesReregistration Eligibility Decision Document for Dichlobenil EPA 738-R-98-003 (October 1998). The RED summarizes the risk assessment conclusions and outlines any risk reduction measures necessary for the pesticide to continue to be registered in the USA. /The BAM metabolite of dichlobenil is the major residue detected in plants./[Available from, as of October 26, 2017: http://www.epa.gov/pesticides/reregistration/status.htm]
FIFRA 要件	Tolerances are established for the combined residues of the herbicide dichlobenil (2,6-dichlorobenzonitrile) and its metabolite 2,6-dichlorobenzamide in or on the following raw agricultural commodities:[Table#4159]Based on the reviews of the generic data for the active ingredients dichlobenil, the Agency has sufficient information on the health effects of dichlobenil and on its potential for causing adverse effects in fish and wildlife and the environment. The Agency has determined that dichlobenil products, labeled and used as specified in this Reregistration Eligibility Decision, will not pose unreasonable risks or adverse effects to humans or the environment with the exception of sewer and granular backpack application use sites. Therefore, the Agency concludes that products containing dichlobenil for the remaining uses are eligible for reregistration under the conditions specified in this RED.
Hazardous Reactivities and Incompatibilities	Incompatible materials: Strong oxidizing agents.
消火手順	Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.
保管条件	Keep container tightly closed in a dry and well-ventilated place.

用途

使用

2,6-Dichlorobenzamide is the persistent metabolite of herbicide 2,6-Dichlorobenzonitrile (D431945).