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2493-04-1

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Basic Information
CAS No.: 2493-04-1
Name: 5-NITROFURFURYL ALCOHOL
Article Data: 1
Molecular Structure:
Molecular Structure of 2493-04-1 (5-NITROFURFURYL ALCOHOL)
Formula: C5H5 N O4
Molecular Weight: 143.099
Synonyms: Furfurylalcohol, 5-nitro- (6CI,7CI,8CI); 2-(Hydroxymethyl)-5-nitrofuran;5-Nitro-2-furanmethanol; 5-Nitrofurfuryl alcohol; NSC 6454
Density: 1.461g/cm3
Melting Point: 30-32 °C
Boiling Point: 300°Cat760mmHg
Flash Point: 135.2°C
Hazard Symbols:
Risk Codes: 20/21/22-36/37/38
Safety: Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..
PSA: 79.19000
LogP: 1.20330
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Chemistry

IUPAC Name: (5-Nitrofuran-2-yl)methanol 
Following is the structure of 5-Nitro-2-furanmethanol (CAS NO.2493-04-1):
                            
Empirical Formula: C5H5NO4
Molecular Weight: 143.0975 g/mol
Surface Tension: 58.1 dyne/cm
Density: 1.461 g/cm3
Flash Point: 135.2 °C
Enthalpy of Vaporization: 57.02 kJ/mol
Boiling Point: 300 °C at 760 mmHg
Vapour Pressure: 0.000514 mmHg at 25 °C
Index of Refraction of 5-Nitro-2-furanmethanol (CAS NO.2493-04-1): 1.557
Product Categories: ALDEHYDE;Building Blocks;Furans;Heterocyclic Building Blocks
Canonical SMILES: C1=C(OC(=C1)[N+](=O)[O-])CO
InChI: InChI=1S/C5H5NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2
InChIKey: NDSTUUPEXNCUNW-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 1 nmol/plate

     MUREAV    Mutation Research. 81 (1981),21.
2.    

pic-esc 1 µg/plate

     MUREAV    Mutation Research. 81 (1981),21.

Safety Profile

 Mutation data reported. When heated to decomposition, 5-Nitro-2-furanmethanol (CAS NO.2493-04-1) emits toxic fumes of NOx. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..
Hazard Codes: HarmfulXn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: LU9174000

Specification

 5-Nitro-2-furanmethanol , its cas register number is 2493-04-1. It also can be called 2-Furanmethanol, 5-nitro- ; Furfuryl alcohol, 5-nitro- ; 2-Furfuryl alcohol, 5-nitro- ; and 5-Nitrofurfuryl alcohol . Its classification code is Mutation data.