Basic information
- CAS
6283-71-2- Standard SMILES
COC(=O)CC(C#N)C(=O)OC- InChIKey
PJAMMJHRVPQDMS-UHFFFAOYSA-N- Molecular formula
- C7H9NO4
- Average molar mass
- 171.15 g/mol
Names & identifiers
- Preferred name
- 2-Cyanobutanedioic acid dimethyl ester
- IUPAC
- dimethyl 2-cyanobutanedioate
- English name
- 2-Cyanobutanedioicacid,dimethylester
- Molecular formula
- C7H9NO4
- Molecular weight
- 171.15
Names & synonyms
2-Cyanobutanedioic acid dimethyl esterRefChem:470726890-845-9dimethyl 2-cyanosuccinate6283-71-22-Cyanosuccinic acid dimethyl esterdimethyl 2-cyanobutanedioateButanedioic acid, cyano-, dimethyl esterMFCD01760090Dimethyl cyanosuccinate1,4-dimethyl 2-cyanobutanedioate2-Cyanobutanedioicacid,dimethylester
Show more names
2-CyanobutanedioicacidButanedioic acid, 2-cyano-, 1,4-dimethyl ester
BRN 1781500AI3-111552-Cyano butanedioic acid dimethylesterSuccinic acid, cyano-, dimethyl esterdimethyl2-cyanosuccinate0-02-00-00813 (Beilstein Handbook Reference)SCHEMBL1752393NSC7708
Database identifiers
- CAS
6283-71-2- PubChem CID
- 94907
- EC Number
- 890-845-9
- Nikkaji
- J446.493A
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 86 · 86-87 °C(Press: 0.015 Torr)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 6283 · 6283-71-2
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H227
- Precautionary statements
- 501 · P501-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
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+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314-H227
- Precautionary statements
- P501-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Chemistry & industry
Applications
UsesDimethyl 2-cyanostanoate is an organic intermediate that can be prepared from ethyl cyanoacetate. Literature reports that dimethyl 2-cyanostanoate can be used to prepare various spirodiamine heterocycles.
Upstream & downstream products
Upstream raw materials
Suppliers53 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…