4,5-디클로로-2-N-옥틸-4-이소티아졸린-3-온

한글명:4,5-디클로로-2-N-옥틸-4-이소티아졸린-3-온

카스 번호64359-81-5

상품명:4,5-Dichloro-2-octyl-isothiazolone

CBNumberCB4279833

분자식C11H17Cl2NOS

포뮬러 무게282.23

MOL 파일64359-81-5.mol

동의어(한글)

4,5-디클로로-2-N-옥틸-4-이소티아졸린-3-온

4,5-다이클로로-2-옥틸-3(2H)-아이소티아졸론

화학적 성질

녹는점	40.0 to 44.0 °C
끓는 점	322.6±52.0 °C(Predicted)
밀도	1.25±0.1 g/cm3(Predicted)
저장 조건	under inert gas (nitrogen or Argon) at 2-8°C
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)	-6.09±0.60(Predicted)
물리적 상태	고체
물리적 상태	단단한 모양
색상	흰색에서 황백색까지
Merck	14,3070
안정성	공기에 민감한
InChI	InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3
InChIKey	PORQOHRXAJJKGK-UHFFFAOYSA-N
SMILES	S1C(Cl)=C(Cl)C(=O)N1CCCCCCCC
CAS 데이터베이스	64359-81-5(CAS DataBase Reference)
EPA	4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one (64359-81-5)

위험 및 안전 성명

유엔번호(UN No.)

3077

RTECS 번호

NX8157075

HS 번호

2934.10.7000

위험 등급

포장분류

III

유해 물질 데이터

64359-81-5(Hazardous Substances Data)

NFPA 704:

	0
3		0

그림문자(GHS)

4,5-디클로로-2-N-옥틸-4-이소티아졸린-3-온 화학적 특성, 용도, 생산

화학적 성질
Dichlorooctylisothiazolinone, DCOIT or DCOI, is an isothiazolinone compound. It is a white solid that melts at room temperature. It is an organic chemical that is slightly volatile and can dissolve in water. The measured K values show that DCOIT tends to move from water to octanol and has moderate to high lipophilicity.
용도
Dichloroctylisothiazolinone is used as a broad spectrum biocide. It is used in paints especially marine coatings, decorative wood coatings and plastic industry. It is used primarily as a dry-film mildew protector for paint, coatings, paper, stains, plastics, wood, shoes, adhesives, metalworking fluids and printing inks. It is easily incorporated into water-based or solvent-based formulations.
정의
ChEBI: 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone(DCOIT) is a 1,2-thiazole that is 1,2-thiazol-3(2H)-one substituted by chloro groups at positions 4 and 5 and an octyl group at position 2. It is used as a fungicide. It has a role as an environmental contaminant, a xenobiotic and a fungicide. It is an organochlorine compound and a member of 1,2-thiazoles.
색상 색인 번호
Irritant and sensitizer, Kathon? 930 caused contact dermatitis in employees of a textile fnishing factory.
Safety
The chemical and formulations containing the chemical applied to intact rabbit skin produced severe erythema, oedema and scar formation. The exposed areas had effects that were not reversible. Data indicates corrosive effects in the respiratory tract. While no data are available for effects in the eyes, the chemical is deemed to capable of causing severe damage. There is sufficient evidence to warrant hazard classification.
Synthesis
Add 200 g of ethyl acetate and 23.6 g (0.1 mol) of N,N'-dimethyl-3,3'-dithiodipropionamide into a 500ml four-neck flask equipped with a thermometer and a stirrer, stir and mix, and control The reaction temperature was 15° C., 1.8 g of thionyl chloride (15.1 mmol) was added to the four-neck flask, and the mixture was stirred for 10 min.21.3g (0.3mol) of chlorine gas was introduced into the reaction system, the mixture was stirred for 5h to react, and 27.1g of 4,5-Dichloro-2-octyl-isothiazolone was obtained by filtration and separation. The yield was 84.9%.

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