4,4'-Bis(2,3-epoxypropoxy)biphenyl

HCID 102824CAS 2461-46-3
Substructure searchFind similar structures

Basic information

Standard SMILES
c1cc(-c2ccc(OCC3CO3)cc2)ccc1OCC1CO1
InChIKey
OZRVXYJWUUMVOW-UHFFFAOYSA-N
Molecular formula
C18H18O4
Average molar mass
298.3 g/mol
Monoisotopic mass
298.12050905

Names & identifiers

Preferred name
4,4'-Bis(2,3-epoxypropoxy)biphenyl
IUPAC
2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
English name
4,4'-bis(2,3-epoxypropoxy)biphenyl
Molecular formula
C18H18O4
Molecular weight
298.33

Names & synonyms

4,4'-Bis(2,3-epoxypropoxy)biphenylEINECS 219-556-2RefChem:506545219-556-22461-46-34,4'-Bis(oxiran-2-ylmethoxy)-1,1'-biphenylOxirane, 2,2'-[[1,1'-biphenyl]-4,4'-diylbis(oxymethylene)]bis-2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxiraneMFCD0015515144'-bis(23-epoxypropoxy)biphenyl2-[({4'-[(oxiran-2-yl)methoxy]-[1,1'-biphenyl]-4-yl}oxy)methyl]oxirane90837-23-3
Show more names
p-(2,3-Epoxypropoxy)diphenylp,p'-Bisphenol diglycidyl etherDiglycidylether of 4,4'-biphenol4，4'-biphenylbisphenoldiglycinether4,4'-Bis(oxiran-2-ylmethoxy)biphenylBiphenyl-4,4'-diylbis(glycidyl ether)
4,4'-diglycidyloxybiphenyl4,4/'-Bis(2,3-epoxypropoxy)biphenylSCHEMBL49248DTXSID90947511AKOS015901217AS-71300FB151937SY247531

Database identifiers

CAS
2461-46-3、90837-23-3
PubChem CID
102824
DTXSID
DTXSID90947511
EC Number
219-556-2
Nikkaji
J216.103F

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
43.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
22

Physicochemical properties

Melting point
156 °C · 156 °C
Boiling point
473.6 · 473.6±30.0 °C(Predicted)
Density
1.226 · 1.226±0.06 g/cm3(Predicted)
InChI
InChI=1S/C18H18O4/c1-5-15(19-9-17-11-21-17)6-2-13(1)14-3-7-16(8-4-14)20-10-18-12-22-18/h1-8,17-18H,9-12H2
InChIKey
OZRVXYJWUUMVOW-UHFFFAOYSA-N
SMILES
C1(C2=CC=C(OCC3CO3)C=C2)=CC=C(OCC2CO2)C=C1

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

P203, P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (33.3%)；Muta. 2 (100%)

Regulatory information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS08,GHS07
Hazard statements
H317-H341-H315
Precautionary statements
P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationOxirane, 2,2'-[[1,1'-biphenyl]-4,4'-diylbis(oxymethylene)]bis-: ACTIVE

Suppliers41 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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