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Tris(3-chloro-2-hydroxypropyl)isocyanurate

HCID 23904
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基本情報

CAS
7423-53-2
標準SMILES
O=c1n(CC(O)CCl)c(=O)n(CC(O)CCl)c(=O)n1CC(O)CCl
InChIKey
IEWXGNMLWRMTTJ-UHFFFAOYSA-N
分子式
C12H18Cl3N3O6
平均分子量
406.6 g/mol
単同位体質量
405.026118

名称と識別子

優先名称
Tris(3-chloro-2-hydroxypropyl)isocyanurate
IUPAC
1,3,5-tris(3-chloro-2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione

名称と別名

Tris(3-chloro-2-hydroxypropyl)isocyanurateTris(3-chloro-2-hydroxypropyl) isocyanurates-Triazine-2,4,6(1H,3H,5H)-trione, tris(3-chloro-2-hydroxypropyl)-1,3,5-Tris(3-chloro-2-hydroxypropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trioneRefChem:900225TRIS(3-CHLORO-2-HYDROXYPROPYL)-S-TRIAZINE-2,4,6(1H,3H,5H)-TRIONE7423-53-21,3,5-tris(3-chloro-2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trioneMetaxalone Impurity 107U633P6SNNSCHEMBL10481147DTXSID40995709
名称をさらに表示
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(3-chloro-2-hydroxypropyl)-

データベース識別子

CAS
7423-53-2
PubChem CID
23904
DTXSID
DTXSID40995709
UNII
7U633P6SNN
Nikkaji
J32.464G

物性

構造計算による物性

XLogP
-0.7
極性表面積
122 Ų
水素結合供与体数
3
水素結合受容体数
6
回転可能結合数
9
重原子数
24
形式電荷
0
複雑度
392

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

危険有害性情報

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile · 1 件

Isocyanates and thioisocyanates 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-catalyzed 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)].

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

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