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1-Butanol, 2-nitro-

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Name

1-Butanol, 2-nitro-

EINECS 210-188-8
CAS No. 609-31-4 Density 1.132 g/cm3
PSA 66.05000 LogP 0.55720
Solubility N/A Melting Point -47 °C
Formula C4H9NO3 Boiling Point 214.4 °C at 760 mmHg
Molecular Weight 119.12 Flash Point 97.7 °C
Transport Information N/A Appearance colourless liquid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 609-31-4 (2-NITRO-1-BUTANOL) Hazard Symbols N/A
Synonyms

2-Nitro-1-butanol;2-Nitrobutanol;NSC 3635;

Article Data 14

1-Butanol, 2-nitro- Synthetic route

50-00-0

formaldehyd

108-03-2

1-Nitropropane

609-31-4

2-nitro-1-butanol

Conditions
ConditionsYield
Stage #1: 1-Nitropropane With sodium hydroxide In water at 30℃; Henry Nitro Aldol Condensation;
Stage #2: formaldehyd In water at 30℃; for 2h; Solvent; Reagent/catalyst; Time; Henry Nitro Aldol Condensation;
91.5%
Stage #1: 1-Nitropropane With water; sodium hydroxide at 0 - 23℃; for 2h;
Stage #2: formaldehyd at 0 - 23℃; for 1h;
76%
Stage #1: 1-Nitropropane With sodium hydroxide In water at 0 - 20℃; for 2.5h;
Stage #2: formaldehyd In water at 20℃; for 7h;
55%
73928-13-9

bis-(2-nitro-butoxy)-methane

609-31-4

2-nitro-1-butanol

Conditions
ConditionsYield
(i) BCl3, (ii) MeOH; Multistep reaction;
90227-61-5

1-tert-butoxy-2-nitro-butane

609-31-4

2-nitro-1-butanol

Conditions
ConditionsYield
(i) BCl3, (ii) MeOH; Multistep reaction;
99864-18-3

bis-(2-hydroxymethyl-2-nitro-butyl)-amine

A

609-31-4

2-nitro-1-butanol

B

5-nitro-5-ethyl-tetrahydro-1.3-oxazine

5-nitro-5-ethyl-tetrahydro-1.3-oxazine

Conditions
ConditionsYield
bei der Destillation unter vermindertem Druck;
806635-31-4

2-ethyl-4-[(hydroxymethyl-amino)-methyl]-2,4-dinitro-hexan-1-ol

A

609-31-4

2-nitro-1-butanol

B

5-nitro-5-ethyl-tetrahydro-1.3-oxazine

5-nitro-5-ethyl-tetrahydro-1.3-oxazine

Conditions
ConditionsYield
Destillation unter vermindertem Druck;
609-31-4

2-nitro-1-butanol

96-20-8, 13054-87-0

2-aminobutanol

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In methanol at 50 - 55℃; under 6000.6 - 7500.75 Torr; for 3h; Reagent/catalyst; Solvent; Temperature;91%
In ethanol; toluene78%
In ethanol41%
609-31-4

2-nitro-1-butanol

78-79-5

isoprene

A

1-methyl-4-ethyl-4-nitrocyclohexene

B

2-methyl-4-ethylnitrocyclohexene

Conditions
ConditionsYield
In methanolA 87%
B n/a
609-31-4

2-nitro-1-butanol

108-24-7

acetic anhydride

2123-71-9

2-nitrobutyl acetate

Conditions
ConditionsYield
With toluene-4-sulfonic acid In dichloromethane at 0 - 20℃; for 8h;86%
609-31-4

2-nitro-1-butanol

106-99-0

buta-1,3-diene

4883-68-5

4-nitro-Δ'-cyclohexene

Conditions
ConditionsYield
In methanol81%
609-31-4

2-nitro-1-butanol

2783-12-2

2-nitrobutene

Conditions
ConditionsYield
With phthalic anhydride Heating;79%
With phthalic anhydride at 150 - 200℃;44%
With phthalic anhydride at 180℃; under 75 Torr;
With phthalic anhydride

1-Butanol, 2-nitro- Specification

The 1-Butanol, 2-nitro-, with the CAS registry number 609-31-4, is also known as 2-Nitro-1-butanol. Its EINECS number is 210-188-8. This chemical's molecular formula is C4H9NO3 and molecular weight is 119.12. What's more, its IUPAC name is 2-Nitrobutan-1-ol.

Physical properties of 1-Butanol, 2-nitro- are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.45; (4)ACD/LogD (pH 7.4): 0.1; (5)ACD/BCF (pH 5.5): 1.29; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 41.61; (8)ACD/KOC (pH 7.4): 18.73; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 28.09 cm3; (15)Molar Volume: 105.2 cm3; (16)Polarizability: 11.13×10-24 cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 97.7 °C; (20)Enthalpy of Vaporization: 52.42 kJ/mol; (21)Boiling Point: 214.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0343 mmHg at 25 °C.

Uses of 1-Butanol, 2-nitro-: it can be used to produce 2-nitro-but-1-ene. It will need reagent phthalic anhydride.

1-Butanol, 2-nitro- can be used to produce 2-nitro-but-1-ene.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(CO)[N+](=O)[O-]
(2)InChI: InChI=1S/C4H9NO3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3
(3)InChIKey: MHIHRIPETCJEMQ-UHFFFAOYSA-N

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