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1,4-Butanediol,2,3-dinitro

1,4-Butanediol,2,3-dinitro structure

CAS No:
13239-13-9
Formula:
C8H10O4
Chemical Name:
1,4-Butanediol,2,3-dinitro
Synonyms:
1,4-dimethoxy-hydroquinone; 1,4-Dihydroxy-2,3-dinitrobutan; 1,4-dihydroxy-2,5-dimethoxybenzene; 2,5-dimethoxy-1,4-dihydroxybenzene; 2,3-dinitro-butane-1,4-diol;

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1,4-Butanediol,2,3-dinitro Basic Attributes

Molecular Weight：

170.16300

Exact Mass：

170.05790880 g/mol

NSC Number：

139147

Characteristics

PSA：

58.92000

XLogP3：

1.11500

Density：

1.267g/cm3

Boiling Point：

355.4ºC

Flash Point：

168.7ºC

Refractive Index：

1.559

Vapor Pressure：

1.53E-05mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:170.16
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:170.05790880
Monoisotopic Mass:170.05790880
Topological Polar Surface Area:58.9
Heavy Atom Count:12
Complexity:123
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-Butanediol,2,3-dinitro

Basic Attributes
Characteristics
Safety Information
Computed Properties

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