클로로톨루론

클로로톨루론 · 클로로톨루론(CHLOROTOLURON) · 3-(3-클로로-p-톨일)-1,1-다이메틸우레아 · CHLORTOLURON · c2242 · tolurex · TORO(R) · dicuran

https://huagongshe.com/ko/chemical/27375

식별자 및 물리적 특성

CAS No.	15545-48-9
분자식	C10H13ClN2O
평균 분자량	212.67 g/mol
단동위원소 질량	212.0716407 g/mol
SMILES	Cc1ccc(NC(=O)N(C)C)cc1Cl
InChIKey	JXCGFZXSOMJFOA-UHFFFAOYSA-N
PubChem CID	27375
ChEMBL	CHEMBL1900581
ChEBI	CHEBI:81981
EC No.	239-592-2
DTXSID	DTXSID8052853
현지명	클로로톨루론

화학 및 물리적 성질

XLogP	2.4
극성 표면적	32.3
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	14
형식 전하	0
복잡도	208
LogP(분배 계수)	Log Kow = 2.412.5
냄새	ODORLESS
밀도	140 g/cu cm1.4 g/cm³1.2426 (rough estimate)
Color/Form	COLORLESS CRYSTALSwhite powder
용해도	IT IS SOLUBLE IN MOST ORGANIC SOLVENTSIn acetone 5%, ethyl acetate 2%, benzene 2.4%, isopropanol 1.5%, methylene chloride 4.3% w/vIn water, 70 mg/L at 25 °CIn acetone 54, dichloromethane 51, ethanol 48, toluene 3.0, hexane 0.06, n-octanol 24, ethyl acetate 21 (all in g/L at 25 °C)Solubility in water, g/100ml at 25 °C: 0.0074 (very poor)Chloroform: slightly solubleMethanol: slightly soluble
Corrosivity	Noncorrosive
녹는점	147-148 °C148.1 °C148.3°
증기압	3.6X10-8 MM HG @ 20 °CVapor pressure at 20 °C: negligible
Physical Description	COLOURLESS CRYSTALS OR WHITE POWDER.
Stability/Shelf Life	Stable under normal conditions in neutral media. Hydrolyzed by strong acids and alkalis.
Kovats Retention Index	1627.4
Collision Cross Section	145.96 Å² [M+H]+ [CCS Type: TW]147.5 Å² [M+H]+ [CCS Type: DTMethod: single field calibrated]
끓는 점	367.8±42.0 °C(Predicted)
굴절률	1.6000 (estimate)
인화점	2 °C
저장 조건	APPROX 4°C
물리적 상태	Solid
pKa(산도 계수)	14.43±0.70(Predicted)
색상	Off-white to light yellow
용해도	70.43mg/L(20 ºC)
Merck	13,2191
BRN	2647688
헨리 상수	7.0×104 mol/(m3Pa) at 25℃, HSDB (2015)
주요 응용	농업청소용품화장품환경음식 및 음료개인 위생 관리
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
SMILES	CN(C)C(=O)Nc1ccc(C)c(Cl)c1
NIST	Chlortoluron(15545-48-9)
EPA	Chlorotoluron (15545-48-9)

안전 및 규제

GHS 분류	WarningH351: Suspected of causing cancer [Warning Carcinogenicity]H361d ***: Suspected of damaging the unborn child [Warning Reproductive toxicity]H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
규제 정보	Chemical: Urea, N'-(3-chloro-4-methylphenyl)-N,N-dimethyl-05/53/EC, Reg. (EU) 2017/1511, Reg. (EU) 2018/1262, Reg. (EU) 2019/1589, Reg. (EU) 2020/1511, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/1757, Reg. (EU) No 533/2013, Reg. (EU) No 540/2011Chlorotoluron: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
화재 위험	Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
EC 분류	Symbol: Xn, NR: 40-63-50/53S: (2)-26-36/37-46-60-61
Special Reports	Collected Data on Herbicide ToxicologyVerlag Chemie GmBH, Postfach 1260/1280, 6940 Weinheim, Fed Rep of Germany, 4th instalment 2: 272 pages (1983). A loose-leaf collection published by the pesticides Committee of the German Research Association. A statement of the criteria involved in toxicological assessment of pesticides is followed by monographs on several herbicides, their applications, their toxicity to animals and man, and their metabolism or transformation in plants, soil and water. Each monograph is completed by a toxicological evaluation and a bibliography. The 4th supplement offers new or updated information on chlortoluron.Geissbuhler HHow Safe are PesticidesExperientia 38 (8): 890-5 (1982). The safety of the pesticides, chlortoluron and atrazine, is discussed in relation to use, exposure, pollution, etc.
Chemical Dangers	On combustion, forms toxic fumes. Reacts with strong acids and strong bases.
Packaging and Labelling	Do not transport with food and feedstuffs.

용도

Herbicide.