테트라히드로프탈이미드

테트라히드로프탈이미드 · 1,2,3,6-TETRAHYDROPHTHALIMIDE · Tetrahydroimine · TetrahydrophthaL · TETRAHYDROPHTHALIMIDE · LABOTEST-BB LT00138101 · Tetrahydridocyclohexane · 1,2,3,6-Tetraphthalimide

https://huagongshe.com/ko/chemical/6808

식별자 및 물리적 특성

CAS No.	85-40-5
분자식	C8H9NO2
평균 분자량	151.16 g/mol
단동위원소 질량	151.06332853 g/mol
SMILES	O=C1NC(=O)C2CC=CCC12
InChIKey	CIFFBTOJCKSRJY-UHFFFAOYSA-N
PubChem CID	6808
ChEMBL	CHEMBL3187796
EC No.	201-602-8
DTXSID	DTXSID8026513
현지명	테트라히드로프탈이미드

화학 및 물리적 성질

XLogP	0.2
극성 표면적	46.2
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	220
Color/Form	Crystals from ethanol
인화점	190 °C165°C
Decomposition	When heated to decomposition it emits toxic vapors of /Nitrogen oxides/
녹는점	137 °C132-140°C
Physical Description	Solid[IUCLID]
Kovats Retention Index	1470
Collision Cross Section	132.6 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID8026513]
끓는 점	337°C
밀도	1.228
증기압	0.004Pa at 25℃
굴절률	1.5810 (estimate)
저장 조건	Store below +30°C.
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
pKa(산도 계수)	11.69±0.20(Predicted)
물리적 상태	고체
색상	흰색에서 황백색까지
용해도	12.2g/L at 20℃
헨리 상수	3.3×102 mol/(m3Pa) at 25℃, HSDB (2015)
안정성	감광성
InChI	1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)
InChIKey	CIFFBTOJCKSRJY-UHFFFAOYSA-N
SMILES	N1C(=O)C2C(CC=CC2)C1=O
LogP(분배 계수)	-0.14 at 20℃
NIST	1,2,5,6-Tetrahydrophthalimide(85-40-5)
EPA	1,2,3,6-Tetrahydrophthalimide (85-40-5)

화학적 성질

white solid

안전 및 규제

GHS 분류	Not ClassifiedReported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
규제 정보	Commission Regulation No 844/2012Status: Active Update: 14-12-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11941H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Emergency treatment: Phthalimide fungicidesCaptan and Captafol are of low order of acute toxicity. Both are skin sensitizers that in animal experiments can cause cancer and liver, reproductive, and developmental toxicity. [HSDB] Mildly irritating to rabbit skinTeratogenic effects observed in hamsters dosed by gavage at 1,000 mg/kgNo teratogenic effects noted in rabbits but minor increase in resorptions observedNo evidence of mutagenicity[IUCLID] See Captan and Captafol.
Special Reports	Euopean Chemicals BureauIUCLID Dataset for 1,2,3,6-Tetrahydrophthalimide (85-40-5) contains information on use, toxicology, and environmental effects of this chemical as supplied to the European Union by industry.[Available from, as of March 3, 2011: http://ecb.jrc.ec.europa.eu/iuclid-datasheet/85405.pdf]
TSCA 요건	Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date 9/29/2006Reporting date: 11/28/2006.Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro- is included on this list. Effective date: 9/29/2006Sunset date: 11/28/2006.
Hazard Classes and Categories	Not Classified
처리 방법	SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality

용도

1,2,3,6-Tetrahydrophthalimide, is shown to be urinary metabolites of the fungicide Captan (C175725) in rat and humans.