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Tetraethyl ethylenebisphosphonate

HCID 70446
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
995-32-4
Standard SMILES
CCOP(=O)(CCP(=O)(OCC)OCC)OCC
InChIKey
RSQYXXACEZCDFS-UHFFFAOYSA-N
Molecular formula
C10H24O6P2
Average molar mass
302.24 g/mol
Monoisotopic mass
302.10481248

Names & identifiers

Preferred name
Tetraethyl ethylenebisphosphonate
IUPAC
1,2-bis(diethoxyphosphoryl)ethane
English name
Tetraethyl ethylenediphosphonate
Molecular formula
C10H24O6P2
Molecular weight
302.24

Names & synonyms

Tetraethyl ethylenediphosphonate995-32-4Tetraethyl ethylenebisphosphonatePhosphonic acid, 1,2-ethanediylbis-, tetraethyl esterEINECS 213-625-0AI3-17472DTXSID2052738RefChem:896977DTXCID7031323213-625-0tetraethyl ethane-1,2-diylbis(phosphonate)1,2-bis(diethoxyphosphoryl)ethane
Show more names
TETRAETHYL(ETHYLENE)BISPHOSPHONATE1,2-bis(diethyl-phosphonato)-ethaneTetraethyl ethylenediphosphonate,97%Tetraethyl ethylenediphosphonate,95%TETRAETHYL ETHYLENEDIPHOSPHONATE 97%Tetraethyl ethylenediphosphonate, 98+%Tetraethyl (1,2-ethylene)bisphosphonate
1,2-bis(diethyl-phosphonato)ethaneEthylenediphosphonic Acid Tetraethyl EsterMFCD00015133Tetraethyl Ethylenephosphonatetetraethyl ethylenediphosponateSCHEMBL3313657Tetraethyl ethylenebis(phosphonate)SMR001566738

Database identifiers

CAS
995-32-4
PubChem CID
70446
DTXSID
DTXSID2052738
UNII
FZF2E43E93
EC Number
213-625-0
Nikkaji
J104.498B

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
71.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
18
Formal charge
0
Complexity
257

Experimental & physicochemical properties

SpringerMaterials PropertiesViscosity
Collision Cross Section161.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2052738]

Physicochemical properties

Boiling point
200 · 200-202 °C14 mm Hg(lit.)
Density
1.146 g/mL · 1.146 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.444(lit.)
Flash point
110 °C · >110°C
storage temp.
Sealed in dry,Room Temperature
solubility
Acetonitrile (Slightly), Chloroform (Sparingly)
form
Oil
color
Colourless
Specific Gravity
1.146 · 1.146
BRN
1800096 · 1800096
Stability
Moisture Sensitive

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
hs_code
2931.90.9051
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36
Hazard statements
H315-H319
Precautionary statements
P280g-P305+P351+P338

Chemistry & industry

Applications

UsesTetraethyl Ethylenephosphonate is a polycyclic aromatic hydrocarbon (PAH), pollutant.

Upstream & downstream products

Upstream raw materials

Diethyl (formylmethyl)phosphonateDiethyl 2,2-diethoxyethylphosphonate1,2-Bis(diethoxyphosphinyl)ethyneDiethyl vinylphosphonateDiethyl 2-bromoethylphosphonateTriethyl phosphateTriethyl phosphiteDiethyl phosphite1,2-Dibromoethane1,2-Dichloroethane

Downstream products

Phosphonic acid, (2-fluoroethyl)-, diethyl ester (8CI,9CI)Diethyl methylphosphonateTetramethylsuccinonitrile

Suppliers71 total

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

Related reactions

1 records
New reaction record
HRID 1359539 reaction equation
HRID 1359539As productuspto-grants-2003_07

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
InChI
InChI=1S/C10H24O6P2/c1-5-13-17(11,14-6-2)9-10-18(12,15-7-3)16-8-4/h5-10H2,1-4H3
InChIKey
RSQYXXACEZCDFS-UHFFFAOYSA-N
SMILES
P(=O)(OCC)(OCC)CCP(=O)(OCC)OCC
CAS DataBase Reference
995 · 995-32-4(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
280 g-P305+P351+P338 · P280g-P305+P351+P338
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36
WGK Germany
3 · 3
HS Code
2931.9 · 2931.90.9051
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
清宁生物(江苏博泉生物科技有限公司)王 19352250998 13160238781 · [email protected]
镇江中智化学科技有限公司0511-15050866711; 15050866711 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
深圳市悦荣科技有限公司0755-36694831 13316862761 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
北京格林凯默科技有限公司131-21959385 18804271668 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
桦特昇生物科技(武汉)有限公司027-59207879 1972026995 18140587686 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
Honest Joy Holdings Limited+86-0755-36694831 13717124449 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海炎泽化工有限公司19901447308 19962611955 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
上海康恩博医药科技有限公司(科小研试剂)400-1388-521 17510465506 · [email protected]