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Basic information
- CAS
691-24-7- Standard SMILES
CC(C)(C)N=C=NC(C)(C)C- InChIKey
IDVWLLCLTVBSCS-UHFFFAOYSA-N- Molecular formula
- C9H18N2
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.14699858
Names & identifiers
- Preferred name
- Di-tert-butylcarbodiimide
- IUPAC
- N,N'-ditert-butylmethanediimine
- English name
- N,N'-DI-TERT-BUTYLCARBODIIMIDE
- Molecular formula
- C9H18N2
- Molecular weight
- 154.25
Names & synonyms
691-24-7Di-tert-butylcarbodiimideEINECS 211-719-6DTXSID00219155RefChem:586124DTXCID20141646211-719-6N,N'-di-tert-ButylcarbodiimideN,N-DI-TERT-BUTYLCARBODIIMIDEtert-Butyl[(tert-butylimino)methylidene]amineMFCD00010231N,N inverted exclamation marka-Di-tert-butylcarbodiimide
Show more names
DBCDDTBC2,2'-(Phenylimino)diethanolN'-DI-TERT-BUTYLCARBODIIMIDE1,3-DI-TERT-BUTYLCARBODIIMIDE
tert-butyl-(tert-butylimino-methylene)-amineN,N'-ditert-butylmethanediimineBis(tert-butyl)carbodiimidedi-t-butylcarbodiimideSCHEMBL194603IDVWLLCLTVBSCS-UHFFFAOYSA-N,N'-Di-tert-butylmethanediimineN,N\'-ditert-butylmethanediimine
Database identifiers
- CAS
691-24-7- PubChem CID
- 69650
- DTXSID
DTXSID00219155- EC Number
- 211-719-6
- Nikkaji
- J150.103H
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 48 · 48-50 °C12 mm Hg(lit.)
- Density
- 0.8 g/mL · 0.800 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.429
- Flash point
- 95 °F · 95 °F
- storage temp.
- Store at room temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- BRN
- 1758049 · 1758049
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C9H18N2/c1-8(2,3)10-7-11-9(4,5)6/h1-6H3
- InChIKey
- IDVWLLCLTVBSCS-UHFFFAOYSA-N
- SMILES
- N(=C=NC(C)(C)C)C(C)(C)C
- UNSPSC Code
- 12352001 · 12352001
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
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
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2925290090
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesN,N′-Di-tert-butylcarbodiimide can be used:As a reagent for the guanylation of aryl amines catalyzed by lanthanum amides.To prepare dichloroimidazolidine-4,5-dione by reacting with oxalyl chloride, which is a key intermediate for the synthesis of N,N′-diamidocarbenes.To prepare the iridium complex of benzamidine named Ir(FMeppy)2(N,N′-di-tert-butyl-4-methyl-benzamidine).
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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