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3-Nitrosalicylic acid

3-Nitrosalicylic acid structure

CAS No:
85-38-1
Formula:
C7H5NO5
Chemical Name:
3-Nitrosalicylic acid
Synonyms:
Benzoic acid,2-hydroxy-3-nitro-;Salicylic acid,3-nitro-;2-Hydroxy-3-nitrobenzoic acid;3-Nitrosalicylic acid;NSC 182
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Description

Yellow crystalline powder

3-Nitrosalicylic acid Basic Attributes

Molecular Weight：

183.12

Exact Mass：

183.12

UNII：

47661X4L2C

NSC Number：

182

DSSTox ID：

DTXSID80234048

HScode：

2918290000

Characteristics

PSA：

103.35000

XLogP3：

2.49

Appearance：

yellow crystalline powder

Density：

1.6±0.1 g/cm3

Melting Point：

148 °C

Boiling Point：

316.77°C (rough estimate)

Flash Point：

143.4±13.6 °C

Refractive Index：

1.664

Water Solubility：

1.3g/L(16 ºC)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

VO5300000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Nitrosalicylic acid Use and Manufacturing

A nitrohumic acid which has been shown to bind to Molybdenum to impart fertility to soil and water and is a key element in the activity of nitrogenase.

Computed Properties

Molecular Weight:183.12
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:183.01677226
Monoisotopic Mass:183.01677226
Topological Polar Surface Area:103
Heavy Atom Count:13
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 85-38-1

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