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2-Nitro-1,4-benzenedimethanol

2-Nitro-1,4-benzenedimethanol structure

CAS No:
23222-97-1
Formula:
C8H9NO4
Chemical Name:
2-Nitro-1,4-benzenedimethanol
Synonyms:
1,4-Benzenedimethanol,2-nitro-;p-Xylene-α,α′-diol,2-nitro-;2-Nitro-1,4-benzenedimethanol;[4-(Hydroxymethyl)-2-nitrophenyl]methanol;(2-Nitro-1,4-phenylene)dimethanol

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2-Nitro-1,4-benzenedimethanol Basic Attributes

Molecular Weight：

183.16100

Exact Mass：

183.16

EC Number：

245-503-8

DSSTox ID：

DTXSID70177798

HScode：

2906299090

Characteristics

PSA：

86.28000

XLogP3：

1.10260

Density：

1.42g/cm3

Melting Point：

92 °C @ Solvent: Chloroform

Boiling Point：

398.1ºC at 760mmHg

Flash Point：

180.2ºC

Refractive Index：

1.627

Vapor Pressure：

4.71E-07mmHg at 25°C

Safety Information

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:183.16
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:183.05315777
Monoisotopic Mass:183.05315777
Topological Polar Surface Area:86.3
Heavy Atom Count:13
Complexity:180
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Nitro-1,4-benzenedimethanol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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