Basic information
- CAS
3058-04-6- Standard SMILES
N#CCCC1OCC2(CO1)COC(CCC#N)OC2- InChIKey
BNAMIPLIODPZLE-UHFFFAOYSA-N- Molecular formula
- C13H18N2O4
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.12665706
Names & identifiers
- Preferred name
- 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile
- IUPAC
- 3-[3-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanenitrile
- English name
- 3,9-Bis(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
- Molecular formula
- C13H18N2O4
- Molecular weight
- 266.29
Names & synonyms
3058-04-62,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrileEINECS 221-294-9DTXSID30628172,4,8,10-Tetraoxaspiro(5.5)undecane-3,9-dipropanenitrileRefChem:82202DTXCID40382153,9-Bis(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecaneMFCD0019139430580-40-63,3'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)dipropanenitrile3-[3-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propanenitrile
Show more names
CTUBiscyanoethylteraoxaspiroBiscyanoethyltetraoxaspiro2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropionitrile2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-dipropiononitrile2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-bis(propiononitrile)3-[9-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propionitrile
3-[9-(2-cyanoethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propanenitrileSCHEMBL2449336AKOS015836377BP-12598SY054682DB-314923DB-365888NS00028942
Database identifiers
- CAS
3058-04-6- PubChem CID
- 76465
- DTXSID
DTXSID3062817- EC Number
- 221-294-9
- Nikkaji
- J38.154C
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 73 · 73-74 °C(Solv: ethanol (64-17-5))
- Boiling point
- 187 · 187-199 °C(Press: 0.14 Torr)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- Water Solubility
- Practically insoluble in water
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- EPA Substance Registry System
- 2 · 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile (3058-04-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- TSCA
- TSCA listed
- HS Code
- 2932.99 · 2932.99.9090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2932.99.9090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers23 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
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Compound notes
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