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2769-72-4

Basic Information
CAS No.: 2769-72-4
Name: T-BUTYL ISOCYANOACETATE
Article Data: 11
Molecular Structure:
Molecular Structure of 2769-72-4 (T-BUTYL ISOCYANOACETATE)
Formula: C7H11 N O2
Molecular Weight: 141.17
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;
Density: 0.97g/cm3
Boiling Point: 50 oC (0.1 mmHg)
Flash Point: 82 °C
Hazard Symbols: HarmfulXn
Risk Codes: R20/22   
Safety:
Hazard Codes Xn,Xi
Risk Statements 20/22
Safety Statements 23-24/25
RIDADR UN 2810 6.1/PG 3
WGK Germany 3
8-9
Hazard Note Irritant
HazardClass 6.1(b)
PackingGroup III
Transport Information: UN 2810
PSA: 26.30000
LogP: 0.47810
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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 .