Basic information
- CAS
53914-95-7- Standard SMILES
c1cc2ccc1OCCOCCOCCOCCOc1ccc(cc1)OCCOCCOCCOCCO2- InChIKey
REKDBTBSNFSNGP-UHFFFAOYSA-N- Molecular formula
- C28H40O10
- Average molar mass
- 536.6 g/mol
- Monoisotopic mass
- 536.26214747
Names & identifiers
- Preferred name
- Bis(1,4-phenylene)-34-crown 10-Ether
- IUPAC
- 2,5,8,11,14,19,22,25,28,31-decaoxatricyclo[30.2.2.215,18]octatriaconta-1(35),15,17,32(36),33,37-hexaene
- English name
- BIS(1,4-PHENYLENE)-34-CROWN 10-ETHER
- Molecular formula
- C28H40O10
- Molecular weight
- 536.61
Names & synonyms
Bis(1,4-phenylene)-34-crown 10-Ether53914-95-7DTXSID30348346RefChem:329511DTXCID60299418678-088-02,5,8,11,14,16,19,22,25,28-Decaoxa-1,15(1,4)-dibenzenacyclooctacosaphane2,5,8,11,14,19,22,25,28,31-decaoxatricyclo[30.2.2.215,18]octatriaconta-1(35),15,17,32(36),33,37-hexaeneMFCD02066192SCHEMBL17449200REKDBTBSNFSNGP-UHFFFAOYSA-NMFCD03846057
Show more names
2,5,8,11,14,19,22,25,28,31-Decaoxatricyclo[30.2.2.215,18]octatriaconta-15,17,32,34,35,37-hexaene
CS-0435501D889152,5,8,11,14,19,22,25,28,31-decaoxa-tricyclo[30,2,2,2 15,18]octatriaconta-1(34),15,17,32,35,37-hexaen2,5,8,11,14,19,22,25,28,31-Decaoxatricyclo[30.2.2.2(15,18)]octatriconta-15,17,32,34,35,37-hexadiene
Database identifiers
- CAS
53914-95-7- PubChem CID
- 635862
- DTXSID
DTXSID30348346
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Melting point
- 69 · 69.0 ~73.0 °C
- Boiling point
- 689.9 · 689.9±55.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
- 2909.3 · 2909.30.6000
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2909.30.6000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Suppliers24 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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