基本情報
- CAS
106-75-2- 標準SMILES
O=C(Cl)OCCOCCOC(=O)Cl- InChIKey
XFSAZBKSWGOXRH-UHFFFAOYSA-N- 分子式
- C6H8Cl2O5
- 平均分子量
- 231.03 g/mol
- 単同位体質量
- 229.9748787
名称と識別子
- 優先名称
- Diethylene glycol, bischloroformate
- IUPAC
- 2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate
- 現地名
- ビス(クロロぎ酸)オキシビス(エチレン)
- 英語名
- Oxydiethylene bis(chloroformate)
- 分子式
- C6H8Cl2O5
- 分子量
- 231.03
名称と別名
Oxydiethylene bis(chloroformate)106-75-2Diglycol chlorformateDiglycol chloroformateOxydiethylene chloroformateDiethylene glycol chloroformateOxydiethylenebis(chloroformate)DIETHYLENE GLYCOL, BISCHLOROFORMATEHSDB 5374Formic acid, chloro-, oxydiethylene ester1,5-Bis((chlorocarbonyl)oxy)-3-oxapentaneNSC 2346
名称をさらに表示
ビス(クロロぎ酸)オキシビス(エチレン)ビス(クロロぎ酸)オキシビスエチレンビス(クロロぎ酸)(オキシビスエチレン)ビス[2-(クロロホルミルオキシ)エチル]エーテルビス(クロロぎ酸)3-オキサ-1,5-ペンタンジイルクロロぎ酸ジグリコール2,2'-オキシビスエタノールビス(クロロホルマート)ビス(クロリド炭酸)(オキシビスエチレン)２，２’オキシジエチルビス（クロロホルマト）2，2’-オキシジエチルビス（クロロホルマート）2,2'-オキシジエチルビス(クロロホルマート)2,5,8-トリオキサノナン二酸ジクロリド2-{2-[(クロロカルボニル)オキシ]エトキシ}エチル カルボノクロリダート2,2′-オキシジエチルビス(クロロホルマート)2,2′-オキシビスエタノールビス(クロロホルマート)DECFDipeptidyl chloridediglycolchlorformateDEGbis(chloroformate)diglycolchloroformateoxydiethylenechloroformateDiglycol bis(chloroformate)Oxydiethylenbis(chlorformiat)Bis-diethyleneglycolchloroformate
Diethylene glycol bis(chloroformate)EINECS 203-430-9BRN 1812829Carbonochloridic acid, oxydi-2,1-ethanediyl esterAI3-262670O453X86MXNSC-2346Formic acid, chloro-, diester with diethylene glycol
データベース識別子
- CAS
106-75-2- PubChem CID
- 7828
- DTXSID
DTXSID2026739- ChEMBL
CHEMBL3188675- UNII
- 0O453X86MX
- EC Number
- 203-430-9
- Nikkaji
- J27.058J
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 61.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 8
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 154
実験および物理化学的性質
Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Color/FormLIQUID
SolubilitySOL IN ACETONE, ALCOHOL, ETHER, CHLOROFORM, BENZENE
Flash Point295 °F; 146 °C (OPEN CUP)
Boiling Point127 °C AT 5 MM HG
Vapor Pressure5 mm Hg @ 127 °C
Physical DescriptionLiquid; [HSDB] Clear yellow viscous liquid; [MSDSonline]
Other Experimental Properties
Combustible; Flash point = 295 °C (146 °C)
Hydrolyze readily in the presence of water or moist air /Chloroformates/
Chloroformates are reactive intermediates that combine acid chloride, and ester functions. They undergo many reactions of acid chlorides, however, the rates are usually slower. Reactions of chloroformates, like other acid chlorides, proceed faster with better yields when alkali hydroxides or tertiary amines are present to react with the HCl as it forms. /Chloroformates/
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。
GHS分類
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: Carbonochloridic acid, oxydi-2,1-ethanediyl ester
REACH registered substance: Oxydiethylene bis(chloroformate) (EC: 203-430-9)
Carbonochloridic acid, oxydi-2,1-ethanediyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryA skin irritant; May cause serious eye injury; [eChemPortal: ESIS] An irritant; May cause serious eye injury (small exposure could cause blindness); [MSDSonline]
NFPA Hazard Classification
0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.
1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.
0 - Materials that in themselves are normally stable, even under fire conditions.
Hazard Classes and Categories
化学と産業
用途と製造
Uses
Used to make nonvolatile plasticizers and as a modifying agent; [HSDB]
PREPN OF NONVOLATILE PLASTICIZERS OR MODIFYING AGENT
ImpuritiesCarbon dioxide, hydrogen chloride, phosgene, and alkyl chlorides; main impurities are corresponding carbonates /Chloroformic esters/
Formulations/Preparations
Typical specifications of commercial chloroformates: purity, 98%; phosgene, <0.1%, iron, <10 ppm; acidity as HCl, <0.1%; alcohol or phenol, <2% /Chloroformic esters/
Commercial products have concentrations of 97-99 wt% /Chloroformic esters/
General Manufacturing Information
Carbonochloridic acid, C,C'-(oxydi-2,1-ethanediyl) ester: ACTIVE
Most chloroformate production is used captively and production figures are not available /Chloroformic esters/
応用分野
用途変性剤の不揮発性可塑剤
使用Oxydiethylene Bis(chloroformate) is a useful research intermediate for organic synthesis.
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