CAS No.609-31-4,2-NITRO-1-BUTANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	609-31-4
Name:	2-NITRO-1-BUTANOL
Article Data:	14

Formula:	C₄H₉NO₃
Molecular Weight:	119.12
Synonyms:	2-Nitro-1-butanol;2-Nitrobutanol;NSC 3635;
EINECS:	210-188-8
Density:	1.132 g/cm³
Melting Point:	-47 °C
Boiling Point:	214.4 °C at 760 mmHg
Flash Point:	97.7 °C
Appearance:	colourless liquid
PSA:	66.05000
LogP:	0.55720

Synthetic route

: 50-00-0
formaldehyd

: 108-03-2
1-Nitropropane

: 609-31-4
2-nitro-1-butanol

Conditions

Conditions	Yield
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

Conditions	Yield
(i) BCl3, (ii) MeOH; Multistep reaction;

: 90227-61-5
1-tert-butoxy-2-nitro-butane

: 609-31-4
2-nitro-1-butanol

Conditions

Conditions	Yield
(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

Conditions	Yield
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

Conditions	Yield
Destillation unter vermindertem Druck;

: 609-31-4
2-nitro-1-butanol

: 96-20-8, 13054-87-0
2-aminobutanol

Conditions

Conditions	Yield
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; toluene	78%
In ethanol	41%

: 609-31-4
2-nitro-1-butanol

: 78-79-5
isoprene

A: 1-methyl-4-ethyl-4-nitrocyclohexene

B: 2-methyl-4-ethylnitrocyclohexene

Conditions

Conditions	Yield
In methanol	A 87% B n/a

...Expand

: 609-31-4
2-nitro-1-butanol

: 108-24-7
acetic anhydride

: 2123-71-9
2-nitrobutyl acetate

Conditions

Conditions	Yield
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

Conditions	Yield
In methanol	81%

: 609-31-4
2-nitro-1-butanol

: 2783-12-2
2-nitrobutene

Conditions

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

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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