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2-Nitro-2-propyl-1,3-propanediol

2-Nitro-2-propyl-1,3-propanediol structure

CAS No:
5638-92-6
Formula:
C6H13NO4
Chemical Name:
2-Nitro-2-propyl-1,3-propanediol
Synonyms:
2-Nitro-2-propyl-1,3-propanediol;2-nitro-2-propylpropane-1,3-diol;SCHEMBL1170692;CTK5A5064;DTXSID70204937;KEF-201;ZINC2173692;2-nitro-2-propyl-propane-1,3-diol;1,3-Propanediol,2-nitro-2-propyl-;AKOS006271853

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2-Nitro-2-propyl-1,3-propanediol Basic Attributes

Molecular Weight：

163.173

Exact Mass：

163.084

DSSTox ID：

DTXSID70204937

Characteristics

PSA：

86.3

XLogP3：

-0.2

Density：

1.204±0.06 g/cm3(Predicted)

Melting Point：

80-83 °C

Boiling Point：

329.7ºC at 760mmHg

Flash Point：

148.3ºC

Refractive Index：

1.486

Safety Information

Precautionary statement(s)：

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:163.17
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:163.08445790
Monoisotopic Mass:163.08445790
Topological Polar Surface Area:86.3
Heavy Atom Count:11
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Nitro-2-propyl-1,3-propanediol

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-Nitro-2-propyl-1,3-propanediol

SDS

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