카복신

카복신 · 카복신(CARBOXIN) · DCMO · Dmoc · VITAVAX · CARBATHIIN · v4x · d735

https://huagongshe.com/ko/chemical/21307

식별자 및 물리적 특성

CAS No.	5234-68-4
분자식	C12H13NO2S
평균 분자량	235.3 g/mol
단동위원소 질량	235.06669983 g/mol
SMILES	CC1=C(C(=O)Nc2ccccc2)SCCO1
InChIKey	GYSSRZJIHXQEHQ-UHFFFAOYSA-N
PubChem CID	21307
ChEMBL	CHEMBL1231667
ChEBI	CHEBI:3405
EC No.	226-031-1
DTXSID	DTXSID0023951
현지명	카복신

화학 및 물리적 성질

XLogP	2.1
극성 표면적	63.6
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	16
형식 전하	0
복잡도	295
LogP(분배 계수)	2.14log Kow = 2.3
밀도	1.7 g/mL1.45
Color/Form	CRYSTALS FROM ETHANOL OR METHANOLWHITE SOLIDOff-white crystalline solid
용해도	147221.2 g/L in acetone, 89.33 g/L in methanol, 107.7 g/L in ethyl acetate, all at 20 °C.In water, 147 mg/L at 20 °C클로로포름(약간 용해됨), 메탄올(약간 용해됨)
Corrosivity	Non-corrosive
인화점	203 °C100 °C
Decomposition	When heated to decomposition it emits very toxic fumes of /nitrogen and sulfur oxides/.
녹는점	91.591.5 to 92.5 °C and 98 to 101 °C, reflecting two crystalline structures which revert to one in solution.91.1-91.7°C
증기압	0.00000018 [mmHg]1.5X10-7 mm Hg at 25 °C2.5 x 10-5 Pa (25 °C)
Physical Description	Carboxin appears as off-white crystals. Systemic fungicide and seed protectant.Colorless to off-white or white solid[HSDB]
Stability/Shelf Life	Chemically very stable, except to strong acids and alkalis.
Kovats Retention Index	2137.62150.92193.122112173.92184.12196.22188.72182.5
끓는 점	420.6±45.0 °C(Predicted)
굴절률	1.6000 (estimate)
저장 조건	Sealed in dry,2-8°C
pKa(산도 계수)	14.31±0.70(Predicted)
물리적 상태	크리스탈
색상	하얀색
용해도	10.095g/100mL
Merck	13,1837
BRN	983249
헨리 상수	3.1×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
주요 응용	농업환경
InChI	1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey	GYSSRZJIHXQEHQ-UHFFFAOYSA-N
SMILES	CC1=C(SCCO1)C(=O)Nc2ccccc2
LogP(분배 계수)	2.140
NIST	Carboxin(5234-68-4)
EPA	Carboxin (5234-68-4)

화학적 성질

Carboxin is a white crystalline solid

안전 및 규제

GHS 분류	WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]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]P260, P261, P272, P273, P280, P302+P352, P319, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 1% (1 of 104) of reports.
규제 정보	Commission Regulation (EC) No 33/20082011/52/EU, Reg. (EU) 2022/801, Reg. (EU) No 2018/1266, Reg. (EU) No 2019/324, Reg. (EU) No 540/2011Carboxin: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - 1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-: Environment tier I assessmentIMAP assessments - 1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-: Human health tier I assessment
유해성 요약	In high-dose animal studies, causes injury to the liver and kidneys[RTECS] May cause irritation[MSDSonline] No significant evidence of carcinogenicityLow acute toxicity[ToxPlanet: EPA REDs Fact Sheets]
반응성 그룹	Amides and ImidesEthersSulfides, OrganicHydrocarbons, Aliphatic Unsaturated
Special Reports	USEPA/Office of Pesticide ProgramsReregistration Eligibility Decision Document - Carboxin. EPA 738-R-04-015 September 2004. Available from the Database Query page at http://cfpub.epa.gov/oppref/rereg /status.cfm?show=rereg as of April 22, 2005. The RED summarizes the risk assessment conclusions and outlines any risk reduction measures necessary for the pesticide to continue to be registered in the U.S.California Environmental Protection Agency/Department of Pesticide RegulationToxicology Data Review Summaries. Available from: http://www.cdpr.ca.gov/docs/toxsums/toxsumlist.htm on Carboxin (5234-68-4) as of April 21, 2005.

용도

Carboxine is an fungicide used for the control of fruit rot of custard apple.

일반 설명

Off-white crystals. Systemic fungicide and seed protectant.