Propachlor

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식별자 및 물리적 특성

CAS No.	1918-16-7
분자식	C11H14ClNO
평균 분자량	211.69 g/mol
단동위원소 질량	211.07639175 g/mol
SMILES	CC(C)N(C(=O)CCl)c1ccccc1
InChIKey	MFOUDYKPLGXPGO-UHFFFAOYSA-N
PubChem CID	4931
ChEMBL	CHEMBL1394829
ChEBI	CHEBI:19503
EC No.	217-638-2
DTXSID	DTXSID4024274

화학 및 물리적 성질

XLogP	2.2
극성 표면적	20.3
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	3
무거운 원자 수	14
형식 전하	0
복잡도	188
SpringerMaterials Properties	Fusion temperature
농약	Pesticide -> EPA IRISHerbicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, ChloracetanilideEnvironmental transformation -> Pesticides (parent, predecessor)Pesticides -> Herbicides -> Amide herbicides -> Anilide herbicides -> Chloroacetanilide herbicides
LogP(분배 계수)	log Kow = 2.182.36
밀도	1.242 g/mL at 25 °C1.2420
Color/Form	Light tan solidWHITE, CRYSTALLINE SOLID
용해도	Sol in common org solvents except aliphatic hydrocarbonsIn acetone 448, benzene 737, toluene 342, ethanol 408, xylene 239, chloroform 602, carbon tetrachloride 174, diethyl ether 219 (all in g/kg, 25 °C).SLIGHTLY SOL IN DIETHYL ETHERIn water, 580 mg/L at 25 °C
Corrosivity	No corrosion to number 316 and 304 stainless steel, aluminum, and heresitecorrosive to ordinary steel.
Human Drugs	Pharmaceuticals
끓는 점	110 °C at 0.03 mm Hg110°C (rough estimate)
Decomposition	When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.
녹는점	77 °CDecomp temp: 170 °C67-76°C
증기압	0.00074 [mmHg]Vapor pressure at 110 °C: 0.03 mm Hg7.4X10-4 mm Hg at 25 °C
굴절률	1.4932 (estimate)
인화점	100 °C
저장 조건	0-6°C
pKa(산도 계수)	0.30±0.50(Predicted)
용해도	0.7g/L(20℃)
Merck	13,7885
BRN	2103903
헨리 상수	2.7×101 mol/(m3Pa) at 25℃, HSDB (2015)
유전율	2.8-2.9(0.0℃)
주요 응용	농업환경
InChI	1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey	MFOUDYKPLGXPGO-UHFFFAOYSA-N
SMILES	CC(C)N(C(=O)CCl)c1ccccc1
NIST	Acetamide, 2-chloro-n-(1-methylethyl)-n-phenyl-(1918-16-7)
EPA	Propachlor (1918-16-7)

화학적 성질

Propachlor is a light tan solid.

안전 및 규제

GHS 분류	WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
규제 정보	Hazard Traits - CarcinogenicityHepatotoxicity and Digestive System ToxicityOther Toxicological Hazard TraitsRegulation (EC) No 1107/2009 (amended)2008/742Propachlor: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
기타 안전 정보	IMAP assessments - Acetamide, 2-chloro-N-(1-methylethyl)-N-phenyl-: Environment tier I assessment
운송 라벨(DOT)	Poison
화재 위험	Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
화재 가능성	FIRE POINT, 316 °C.Nonflammable
건강 유해성	Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
유해성 요약	It is in the acetanilide class of herbicides along with acetochlor, butachlor, metolachor, and alachlor[Reference #1] Slight increase in unspecified anomalies reported in Russian study not available for review[REPROTOX] Allergic contact dermatitis confirmed by patch testing in farmers and manufacturing workers[Reference #2]
반응성 그룹	Amides and Imides
Special Reports	USEPA/Office of Pesticide ProgramsReregistration Eligibility Decision Document - Propachlor. 249 p. EPA 738-R-015 (November 1998) In evaluating pesticides for reregistration, EPA obtains and reviews a complete set of studies from pesticide producers, describing the human health and environmental effects of each pesticide. To implement provisions of the Food Quality Protection Act of 1996, EPA considers the special sensitivity of infants and children to pesticides, as well as aggregate exposure of the public to pesticide residues from all sources, and the cumulative effects of pesticides and other compounds with common mechanisms of toxicity. The Agency develops any mitigation measures or regulatory controls needed to effectively reduce each pesticide\'s risks. EPA then reregisters pesticides that meet the safety standard of the FQPA and can be used without posing unreasonable risks to human health or the environment. When a pesticide is eligible for reregistration, EPA explains the basis for its decision in a Reregistration Eligibility Decision (RED) document.[Available from, as of May 18, 2007: http://www.epa.gov/pesticides/reregistration/status.htm]

용도

Herbicide.

일반 설명

Light tan solid. Corrosive to iron and steel. Used as an herbicide.