4,4'-ジイソシアナト-3,3'-ジメトキシ[1,1'-ビフェニル]

3,3'-ジメトキシ-4,4'-ビフェニリレンジイソシアナート · ジアニシジンジイソシアナート · 3,3'-ジメトキシ-1,1'-ビフェニル-4,4'-ジイルジイソシアナート · 3,3'-ジメトキシビフェニル-4,4'-ジイルジイソシアナート · (3,3'-ジメトキシ-1,1'-ビフェニル-4,4'-ジイル)ビスイソシアナート · 3,3'-ジメトキシビフェニル-4,4'-ジイソシアナート · 4,4'-ジイソシアナト-3,3'-ジメトキシ[1,1'-ビフェニル] · 3,3'-ビスメトキシビフェニル-4,4'-ジイルジイソシアナート

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

4,4'-ジイソシアナト-3,3'-ジメトキシ[1,1'-ビフェニル] の分子構造式

識別子と物理属性

CAS No.	91-93-0
分子式	C16H12N2O4
平均分子量	296.28 g/mol
単同位体質量	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
現地名	4,4'-ジイソシアナト-3,3'-ジメトキシ[1,1'-ビフェニル]

化学・物理的性質

XLogP	5.1
極性表面積	77.3
水素結合供与体数	0
水素結合受容体数	6
回転可能結合数	5
重原子数	22
形式電荷	0
複雑度	415
Polymers	Plastics & Rubber -> Diisocyanates
Color/Form	Gray to brown powder
溶解度	less than 1 mg/mL at 63.5 °F (NTP, 1992)Soluble in ketones and esters
引火点	245 °C170 °F
Decomposition	When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
融点	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.
沸点	437.88°C (rough estimate)
密度	1.2288 (rough estimate)
屈折率	1.5800 (estimate)
安定性	安定していますが、空気と水に敏感です。強酸化剤、強酸とは相容れない。
EPAの化学物質情報	3,3'-Dimethoxybenzidine-4,4'-diisocyanate (91-93-0)

化学的特性

grey to brown powder

安全性と法規制

GHS 分類	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.
輸送ラベル（DOT）	Poison
火災危険	Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)
健康有害性	SYMPTOMS: Symptoms of exposure to this chemical may include skin irritation.
有害性の概要	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.
反応性グループ	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.

用途

一般的な説明

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.