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CAS Number: 4538-37-8
1,4-diisocyanatobutane

Structure

1,4-diisocyanatobutane
Name: 1,4-diisocyanatobutane
Synonyms:
General Information
Product Number: 4538378
CAS Registry Number: 4538-37-8
Name:
Butane, 1,​4-​diisocyanato-
Isocyanic acid, tetramethylene ester (6CI,​7CI,​8CI); 1,​4-​Butanediol diisocyanate; 1,​4-​Butylene diisocyanate; 1,​4-​Diisocyanatobutane; 1,​4-​Tetramethylenediisoc​yanate; Butane 1,​4-​diisocyanate; Butylenediisocyanate; NSC 510650; Tetramethylene diisocyanate; Tetramethylene isocyanate
 
Chemical Formula: C6H8N2O2
Exact Mass: 140.06
Molecular Weight: 140.14
m/z: 140.06 (100.0%), 141.06 (7.4%)
Elemental Analysis: C, 51.42; H, 5.75; N, 19.99; O, 22.83
 
InChI: InChI=1S/C6H8N2O2/c9-5-7-3-1-2-4-8-6-10/h1-4H2
InChIKey: OVBFMUAFNIIQAL-UHFFFAOYSA-N
Canonical SMILES : C(CCN=C=O)CN=C=O
 
Thermal Properties Value Condition Note
Boiling Point 112-113 °C Press: 19 Torr (1)CAS
Boiling Point 108 °C Press: 15 Torr (2)CAS
Boiling Point 102-104 °C Press: 14 Torr (3)CAS
Boiling Point 102 °C Press: 12 Torr (4)CAS
Boiling Point 97-98 °C Press: 9 Torr (5)CAS
Boiling Point 94-98 °C Press: 10 Torr (6)CAS

Specification

98%

References
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  12. (12) Smirnova, N. N.; Journal of Chemical Thermodynamics 2006, V38(4), P376-382 CAPLUS
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