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Basic information
- CAS
1027757-05-6- Standard SMILES
[C-]#[N+]C(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C- InChIKey
JNMQDAODIJHZRX-UHFFFAOYSA-N- Molecular formula
- C13H21NO4
- Average molar mass
- 255.314 g/mol
- Monoisotopic mass
- 255.14705815
Names & identifiers
- Preferred name
- Di-tert-butyl 2-isocyanosuccinate
- IUPAC
- Di-tert-butyl 2-isocyanobutanedioate
- English name
- DI-TERT-BUTYL 2-ISOCYANOSUCCINATE
- Molecular formula
- C13H21NO4
- Molecular weight
- 255.31
Names & synonyms
DI-TERT-BUTYL 2-ISOCYANOSUCCINATEditert-butyl 2-isocyanobutanedioateDi-tert-butyl 2-isocyanosuccinateDL-ASPARTIC ACID DI-TERT-BUTYL ESTER ISOCYANIDE
Database identifiers
- CAS
1027757-05-6- PubChem CID
- 3301397
- DTXSID
DTXSID20391225- EC Number
- 693-452-9
Properties
Physicochemical properties
- Melting point
- 54 · 54-59 °C
- storage temp.
- -20 °C · -20°C
- form
- solid
- InChI
- 1S/C13H21NO4/c1-12(2,3)17-10(15)8-9(14-7)11(16)18-13(4,5)6/h9H,8H2,1-6H3
- InChIKey
- JNMQDAODIJHZRX-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)CC([N+]#[C-])C(=O)OC(C)(C)C
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Suppliers4 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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