Product Name

  • Name

    T-BUTYL ISOCYANOACETATE

  • EINECS
  • CAS No. 2769-72-4
  • Article Data11
  • CAS DataBase
  • Density 0.97g/cm3
  • Solubility
  • Melting Point
  • Formula C7H11 N O2
  • Boiling Point 50 oC (0.1 mmHg)
  • Molecular Weight 141.17
  • Flash Point 82 °C
  • Transport Information UN 2810
  • Appearance
  • Safety
    Hazard Codes Xn,Xi
    Risk Statements 20/22
    Safety Statements 23-24/25
    RIDADR UN 2810 6.1/PG 3
    WGK Germany 3
    F 8-9
    Hazard Note Irritant
    HazardClass 6.1(b)
    PackingGroup III
  • Risk Codes R20/22   
  • Molecular Structure Molecular Structure of 2769-72-4 (T-BUTYL ISOCYANOACETATE)
  • Hazard Symbols HarmfulXn
  • Synonyms Aceticacid, isocyano-, 1,1-dimethylethyl ester (9CI);Acetic acid, isocyano-,tert-butyl ester (7CI,8CI);tert-Butyl 2-isocyanoacetate;tert-Butylisocyanoacetate;tert-Butyl a-isocyanoacetate;
  • PSA 26.30000
  • LogP 0.47810

tert-Butyl isocyanoacetate Specification

The tert-Butyl isocyanoacetate with cas registry number of 2769-72-4, is also called Aceticacid, isocyano-, 1,1-dimethylethyl ester (9CI) ; Acetic acid, isocyano-,tert-butyl ester (7CI,8CI) . The tert-Butyl isocyanoacetate belongs to the following product categories: (1)Naphthyridine,Quinoline; (2)Isocyanides; (3)Nitrogen Compounds; (4)Organic Building Blocks .

Physical properties of tert-Butyl isocyanoacetate : (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 30.66 Å2 .

When you are using this chemical, please be cautious about it as the following:
Firstly, the tert-Butyl isocyanoacetate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, the tert-Butyl isocyanoacetate is harmful and toxic by inhalation, in contact with skin and if swallowed. When use it, avoid contact with skin and eyes and do not breathe vapour.

You can still convert the following datas into molecular structure:(1)SMILES:O=C(OC(C)(C)C)C[N+]#[C-]; (2)InChI:InChI=1/C7H11NO2/c1-7(2,3)10-6(9)5-8-4/h5H2,1-3H3; (3)InChIKey:IQSYKHVFMYGJER-UHFFFAOYAS; (4)Std. InChI:InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)5-8-4/h5H2,1-3H3; (5)Std. InChIKey:IQSYKHVFMYGJER-UHFFFAOYSA-N .

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