3,3'-디메톡시-4,4'-비페닐렌디이소시아네이트

3,3'-디메톡시-4,4'-비페닐렌디이소시아네이트 · dadi · nci-c02175 · DIANSIDINE DIISOCYANATE · DIANISIDINE DIISOCYANATE · o-Dianisidine diisocyanate · DIMETHOXYBENZIDINEDIISOCYANATE · 3,3’-dimethoxy-4,4’-diphenylylisocyanate

https://huagongshe.com/ko/chemical/7069

식별자 및 물리적 특성

CAS No.	91-93-0
분자식	C16H12N2O4
평균 분자량	296.28 g/mol
단동위원소 질량	296.07970686 g/mol
SMILES	COc1cc(-c2ccc(N=C=O)c(OC)c2)ccc1N=C=O
InChIKey	QZWKEPYTBWZJJA-UHFFFAOYSA-N
PubChem CID	7069
ChEMBL	CHEMBL1487677
ChEBI	CHEBI:82451
EC No.	627-518-5
DTXSID	DTXSID6020484
현지명	3,3'-디메톡시-4,4'-비페닐렌디이소시아네이트

화학 및 물리적 성질

XLogP	5.1
극성 표면적	77.3
수소 결합 공여자 수	0
수소 결합 수용자 수	6
회전 가능 결합 수	5
무거운 원자 수	22
형식 전하	0
복잡도	415
Polymers	Plastics & Rubber -> Diisocyanates
Color/Form	Gray to brown powder
용해도	less than 1 mg/mL at 63.5 °F (NTP, 1992)Soluble in ketones and esters
인화점	245 °C170 °F
Decomposition	When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
녹는점	234 °F (NTP, 1992)112 °C min112-116 °C(lit.)
Physical Description	3,3'-dimethoxybenzidine-4,4'-diisocyanate appears as gray to brown powder or dark beige sandy powder. Melting point 112 °C. Insoluble in water. Toxic by inhalation and ingestion. A skin irritant. Used in making plastics.Gray to brown solid[HSDB] May decompose upon exposure to light and air[MSDSonline]
Other Experimental Properties	Hydrolysed to 3,3'-dimethoxybenzidineemits toxic fumes of nitric oxide when heated to decomposition.
끓는 점	437.88°C (rough estimate)
밀도	1.2288 (rough estimate)
굴절률	1.5800 (estimate)
안정성	안정적이지만 공기와 물에 민감합니다. 강한 산화제, 강산과 호환되지 않습니다.
EPA	3,3'-Dimethoxybenzidine-4,4'-diisocyanate (91-93-0)

화학적 성질

grey to brown powder

안전 및 규제

GHS 분류	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
운송 라벨(DOT)	Poison
화재 위험	Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)
건강 유해성	SYMPTOMS: Symptoms of exposure to this chemical may include skin irritation.
유해성 요약	A respiratory and mucous membrane irritantDiisocyanates are known to cause occupational asthmaSome cause skin sensitization[CHEMINFO] A severe irritantA lachrymator and potential sensitizerInhalation my result in edema[MSDSonline] See DIISOCYANATES.
반응성 그룹	Ethers
Special Reports	3,3'-Dimethoxybenzidine-4,4'-diisocyanateIARC Monographs on the Evaluation of the Carcinogenic Risk of Chemicals to Humans: Some Chemicals Used in Plastics and Elastomers, International Agency for Research on Cancer, 39: 279-86 (1986). The human carcinogenic risk posed by exposure to 3,3'-dimethoxybenzidine-4,4'-diisocyanate.Bioassay of 3,3'-Dimethoxybenzidine-4,4'-diisocyanate for Possible Carcinogenicity (1979) Technical Rpt Series No. 128 DHEW Pub No. (NIH) 79-1383, U.S. Department of Health Education and Welfare, National Cancer Institute, Bethesda, MD 20014
Reactivity Profile	3,3'-DIMETHOXYBENZIDINE-4,4'-DIISOCYANATE may react with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizing agents, hydrides, phenols, and peroxides with vigorous releases of heat. May undergo polymerization reactions with acids and bases.
Air and Water Reactions	Insoluble in water.

용도

일반 설명

Gray to brown powder or dark beige sandy powder. Melting point 112°C. Insoluble in water. Toxic by inhalation and ingestion. A skin irritant. Used in making plastics.