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3-Nitro-1-propanol

3-Nitro-1-propanol structure

CAS No:
25182-84-7
Formula:
C3H7NO3
Chemical Name:
3-Nitro-1-propanol
Synonyms:
1-Propanol,3-nitro-;3-Nitro-1-propanol;3-Hydroxy-1-nitropropane;3-Nitropropanol

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Description

3-nitropropan-1-ol is the nitro compound formed from propan-1-ol by nitration at C-3. It derives from a propan-1-ol.

3-Nitro-1-propanol Basic Attributes

Molecular Weight：

105.09300

Exact Mass：

105.09

EC Number：

246-716-9

UNII：

9284XW200I

DSSTox ID：

DTXSID10179852

HScode：

2905590090

Characteristics

PSA：

66.05000

XLogP3：

0.16870

Density：

1.189g/cm3

Boiling Point：

239.6ºC

Flash Point：

115.9ºC

Refractive Index：

1.444

Vapor Pressure：

0.00696mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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.

Drug Information

MeSH Entry Terms：

3-nitro-1-propanol

Computed Properties

Molecular Weight:105.09
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:105.042593085
Monoisotopic Mass:105.042593085
Topological Polar Surface Area:66
Heavy Atom Count:7
Complexity:57.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Nitro-1-propanol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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