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D-Galactitol,1-deoxy-1-nitro-

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Name

D-Galactitol,1-deoxy-1-nitro-

EINECS 244-132-9
CAS No. 20971-06-6 Density 1.632 g/cm3
PSA 146.97000 LogP -2.77780
Solubility N/A Melting Point 142 °C
Formula C6H13NO7 Boiling Point 608.3 °C at 760 mmHg
Molecular Weight 211.172 Flash Point 268.9 °C
Transport Information N/A Appearance white powder.
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 20971-06-6 (1-Deoxy-1-nitro-d-galactitol) Hazard Symbols N/A
Synonyms

1-Nitro-1-deoxy-D-galactitol;1-Deoxy-1-nitro-D-galactitol,99%;

Article Data 4

D-Galactitol,1-deoxy-1-nitro- Specification

This chemical is called 1-Deoxy-1-nitro-D-galactitol, and it can also be named as 1-Nitro-1-deoxy-D-galactitol. With the molecular formula of C6H13NO7, its molecular weight is 211.17. The CAS registry number of this chemical is 20971-06-6. Additionally, this chemical should be stored in the closed and cool environment.

Other characteristics of the 1-Deoxy-1-nitro-D-galactitol can be summarised as followings: (1)ACD/LogP: -2.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.52; (4)ACD/LogD (pH 7.4): -2.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.01; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 91.97 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 43.37cm3; (15)Molar Volume: 129.3 cm3; (16)Polarizability: 17.19×10-24cm3; (17)Surface Tension: 93.7 dyne/cm; (18)Density: 1.632 g/cm3; (19)Flash Point: 268.9 °C; (20)Enthalpy of Vaporization: 103.67 kJ/mol; (21)Boiling Point: 608.3 °C at 760 mmHg; (22)Vapour Pressure: 2.45E-17 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
2.InChI:InChI=1/C6H13NO7/c8-2-4(10)6(12)5(11)3(9)1-7(13)14/h3-6,8-12H,1-2H2/t3-,4+,5+,6-/m0/s1
3.InChIKey: HOFCJTOUEGMYBT-KCDKBNATBY

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