Bitolylene diisocyanate (HCID 7072)

名称と識別子

優先名称: Bitolylene diisocyanate
IUPAC: 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
現地名: 4,4'-ジイソシアナト-3,3'-ジメチルビフェニル
英語名: 3,3'-Dimethyl-4,4'-biphenylene diisocyanate
分子式: C16H12N2O2
分子量: 264.28

名称と別名

91-97-44,4'-Diisocyanato-3,3'-dimethylbiphenylBitolylene diisocyanate3,3'-Dimethyl-4,4'-biphenylene diisocyanateNacconate 2003,3'-Dimethyl-4,4'-diphenylene diisocyanate3,3'-Bitolylene-4,4'-diisocyanate1,1'-BIPHENYL, 4,4'-DIISOCYANATO-3,3'-DIMETHYL-3,3'-Dimethylbiphenyl 4,4'-diisocyanate4,4'-Diisocyanato-3,3'-bitolylNSC 9599CCRIS 8907

名称をさらに表示

4,4'-ジイソシアナト-3,3'-ジメチルビフェニルトリジンジイソシアナート(3,3'-ジメチル-4,4'-ビフェニリレン)ビスイソシアナート3,3'-ジメチルビフェニル-4,4'-ジイソシアナート3,3'-ジメチル-1,1'-ビフェニル-4,4'-ジイルビスイソシアナート3,3'-ジメチルビフェニル-4,4'-ジイル=ジイソシアネート3,3'-ジメチルビフェニル-4,4'-ジイルジイソシアナート3,3'-ジメチル-1,1'-ビフェニル-4,4'-ジイルジイソシアナートo-トリジンジイソシアナート(3,3'-ジメチル-1,1'-ビフェニル-4,4'-ジイル)ジイソシアナート(3,3'-ジメチルビフェニル-4,4'-ジイル)ジイソシアナート3,3'-ジメチル-4,4'-ジイソシアナトビフェニル(3,3'-ジメチル-4,4'-ビフェニリレン)ジイソシアナートO-トリジンジイソシアネト３，３’－ジメチル－４，４’－ビフェニレンジイソシアネートo-トリジンジイソシアネ-ト3,3'-ジメチル-4,4'-ジフェニレンジイソシアナート３，３Vジメチルビフェニル４，４Vジイル＝ジイソシアネト3,3'-ジメチル-4,4'-ジフェニレンジイソシアネート3・3'-ジメチルビフェニル-4・4'-ジイル=ジイソシアネートTODInacconate2003,3'-DIMETHYL-4-diyl diisocyanate3,3'-Dimethyl-4,4'-btolidinediisocyanatebitoluenediisocyanatebitolylenediisocyanateo-Tolidine diisocyanate-dimethylbiphenyl-4,4'

3,3'-Dimethyl-4,4'-biphenylene isocyanateEINECS 202-112-7UNII-9L950NB0HN3,3'-Dimethyl-4,4'-biphenylylene diisocyanateBRN 27437109L950NB0HNIsocyanic acid, 3,3'-dimethyl-4,4'-biphenylene esterNSC-9599

データベース識別子

CAS: 91-97-4
PubChem CID: 7072
DTXSID: DTXSID7041463
UNII: 9L950NB0HN
EC Number: 202-112-7
Nikkaji: J41.830G

物性

構造計算による物性

XLogP: 5.9
極性表面積: 58.9 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 20
形式電荷: 0
複雑度: 384

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

物理化学的性質

融点: 70 · 70-72°C
沸点: 195 · 195-197°C (667 Pa)
比重(密度): 1.197 · 1.197 (80°C)
蒸気圧: 0.003 Pa · 0.003Pa at 25℃
屈折率: 1.58 · 1.5800 (estimate)
闪点: 218 °C · 218°C
貯蔵温度: 0 · 0-10°C
溶解性: soluble in Toluene
外見: pellet
色: White to Almost white
水溶解度: 594.08 μg/L · 594.08μg/L at 25℃
LogP: 6.052 at · 6.052 at 25℃
CAS データベース: 91 · 91-97-4(CAS DataBase Reference)
EPAの化学物質情報: 3 · 3,3'-Dimethyl-4,4'-diphenylene diisocyanate (91-97-4)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P318, P321, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)

Danger

H317 (98.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P317, P321, P333+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-

Hazard Traits - Respiratory Toxicity

Status: Active Update: 11-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10067

Restricted substance: 3,3'-dimethylbiphenyl-4,4'-diyl diisocyanate

DOT LabelPoison

Fire HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Health HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Reactive GroupIsocyanates and Isothiocyanates

Reactivity Profile · 1 件

Isocyanates and thioisocyanates, such as 3,3'-DIMETHYL-4,4'-DIPHENYLENE DIISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].

安全と保護具

Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

First AidExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Isolation and EvacuationExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

安全データ

tsca: TSCA listed
rtecs: DV3960000
PRTR法: 第一種指定化学物質
hs_code: 29291090
化審法: (4)-33
安衛法: 変異原性物質

化学と産業

用途と製造

General Manufacturing Information1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-: ACTIVE

応用分野

用途ウレタンエラストマー原料,パッキング材原料

使用4,4''-Diisocyanato-3,3''-dimethylbiphenyl is used in preparation method of high-thixotropy single-component modified silane polymer sealant comprising thixotropic agent.

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

4,4'-ジイソシアナト-3,3'-ジメチルビフェニル

基本情報