CAS No.4538-37-8,1,4-DIISOCYANATOBUTANE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4538-37-8
Name:	1,4-DIISOCYANATOBUTANE
Article Data:	24

Formula:	C₆H₈N₂O₂
Molecular Weight:	140.142
Synonyms:	Isocyanicacid, tetramethylene ester (6CI,7CI,8CI);1,4-Butanediol diisocyanate;1,4-Diisocyanatobutane;1,4-Tetramethylenediisocyanate;Butane1,4-diisocyanate;Butylenediisocyanate;NSC 510650;Tetramethylenediisocyanate;Tetramethylene isocyanate;
Density:	1.05 g/cm³
Melting Point:	0 °C
Boiling Point:	220.5 °C at 760 mmHg
Flash Point:	106.7 °C
Appearance:	Clear light yellow liquid
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	26-27-37/39
Transport Information:	2206
PSA:	58.86000
LogP:	0.43820

Synthetic route

: 102016-85-3
1,4-butamethylene-bis(phenyl carbamate)

A: 4538-37-8
1,4-diisocyanatobutane

B: 108-95-2
phenol

Conditions

Conditions	Yield
In diphenylether at 240℃; for 2h; Inert atmosphere;	A 58% B n/a

: 111-50-2
Adipic acid dichloride

: 4538-37-8
1,4-diisocyanatobutane

Conditions

Conditions	Yield
Stage #1: Adipic acid dichloride With sodium azide In water; acetone Stage #2: In cyclohexane Curtius Rearrangement; Heating; Further stages.;	57%

: 24230-70-4
N,N'-diacetoxy-adipamide

: 4538-37-8
1,4-diisocyanatobutane

Conditions

Conditions	Yield
at 200℃; for 0.5h; Lossen Rearrangement;	2%

: 25021-15-2
adipic diazide

: 4538-37-8
1,4-diisocyanatobutane

Conditions

Conditions	Yield
With benzene

: 75-44-5
phosgene

: 110-60-1
1,4-diaminobutane

: 4538-37-8
1,4-diisocyanatobutane

: 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate

: 110-60-1
1,4-diaminobutane

: 4538-37-8
1,4-diisocyanatobutane

Conditions

Conditions	Yield
With 1,2-dichloro-benzene Behandeln mit Phosgen;
With 1,2-dichloro-benzene Behandeln mit Phosgen;

: 50326-52-8
NN'-diformyl-1,4-diaminobutane

: 4538-37-8
1,4-diisocyanatobutane

Conditions

Conditions	Yield
With bromine In benzene

: 75-44-5
phosgene

: 110-60-1
1,4-diaminobutane

A: 4538-37-8
1,4-diisocyanatobutane

B pyrrolidine-carboxylic acid-(1)-chloride: pyrrolidine-carboxylic acid-(1)-chloride

...Expand

: 75-44-5
phosgene

1.4-diamino-butane dihydrochloride: 1.4-diamino-butane dihydrochloride

: 4538-37-8
1,4-diisocyanatobutane

Conditions

Conditions	Yield
With 1,2-dichloro-benzene at 160 - 180℃;

: 110-56-5
1,4-dichlorobutane

sodium cyanate: sodium cyanate

: 4538-37-8
1,4-diisocyanatobutane

Conditions

Conditions	Yield
With N,N-dimethyl-formamide

Raw Materials

25021-15-2

111-50-2

110-56-5

75-44-5

110-60-1

Downstream Products

2536-17-6

Total:41 Page 1 of 2 1 2 Next>>

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Specification

The CAS register number of Butane,1,4-diisocyanato- is 4538-37-8. It also can be called as Butylenediisocyanate and the IUPAC name about this chemical is 1,4-diisocyanatobutane. The molecular formula about this chemical is C₆H₈N₂O₂ and the molecular weight is 140.14.

Physical properties about Butane,1,4-diisocyanato- are: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 2.27; (3)ACD/LogD (pH 7.4): 2.27; (4)ACD/BCF (pH 5.5): 31.25; (5)ACD/BCF (pH 7.4): 31.25; (6)ACD/KOC (pH 5.5): 408.93; (7)ACD/KOC (pH 7.4): 408.93; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 58.86 Å²; (11)Index of Refraction: 1.483; (12)Molar Refractivity: 38 cm³; (13)Molar Volume: 132.9 cm³; (14)Polarizability: 15.06x10^-24cm³; (15)Surface Tension: 41.2 dyne/cm; (16)Density: 1.05 g/cm³; (17)Flash Point: 106.7 °C; (18)Enthalpy of Vaporization: 45.69 kJ/mol; (19)Boiling Point: 220.5 °C at 760 mmHg; (20)Vapour Pressure: 0.113 mmHg at 25 °C.

Uses of Butane,1,4-diisocyanato-: it can be used to produce C₁₄H₁₄N₁₂O₄ with 3-Diazopyrazol-4-carboxamid. This reaction will need solvent of dimethylsulfoxide. The reaction time is 12 hours with reaction temperature of 25 °C. The yield is about 82%.

Butane,1,4-diisocyanato- can be used to produce C14H14N12O4 with 3-Diazopyrazol-4-carboxamid.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It may cause damage to health. It is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If it stains your clothing, take off immediately all contaminated clothing. If you want to store it, you should keep the container tightly sealed in dry, cool places with protection gas of N₂. It can reacts with strong oxidizing agents and ethyl alcohol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C=N/CCCC/N=C=O
(2)InChI: InChI=1/C6H8N2O2/c9-5-7-3-1-2-4-8-6-10/h1-4H2
(3)InChIKey: OVBFMUAFNIIQAL-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H8N2O2/c9-5-7-3-1-2-4-8-6-10/h1-4H2
(5)Std. InChIKey: OVBFMUAFNIIQAL-UHFFFAOYSA-N