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3-Chloro-5-nitrophenol

3-Chloro-5-nitrophenol structure

CAS No:
618-63-3
Formula:
C6H4ClNO3
Chemical Name:
3-Chloro-5-nitrophenol
Synonyms:
3-chloro-5-nitrophenol;Phenol, 3-chloro-5-nitro-;5-chloro-3-nitrophenol;KSC494C3F;SCHEMBL939204;CTK3J4132;KS-00000SGZ;DTXSID40443290;CL8484;SBB088798
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Chloro-5-nitrophenol Basic Attributes

Molecular Weight：

173.552

Exact Mass：

172.987976

DSSTox ID：

DTXSID40443290

HScode：

2908999090

Characteristics

PSA：

XLogP3：

2.1

Density：

1.6±0.1 g/cm3

Melting Point：

147 °C

Flash Point：

128.2±23.2 °C

Refractive Index：

1.627

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.

3-Chloro-5-nitrophenol Use and Manufacturing

To a mixture of l, 3-dichloro-5-nitrobenzene (5.0O g, 26.0 mmol), potassium hydroxide (3.44 g, 52.1 mmol), tris(dibenzylideneacetone)dipalladium(0) (539 mg, 0.52 mmol), and 2-(di-tert-butyl- phosphino)-2, 4, 6-triisopropylbiphenyl (885 mg, 2.08 mmol) was added a degassed mixture of dioxane (25 mL) and water (15 mL). The mixture was heated for 30 min to 80Example XXIV; 3-chloro-5-nitrophenol; 1.65 g 3-chloro-5-nitroanisole are combined with 20.3 g pyridinium

Computed Properties

Molecular Weight:173.55
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:172.9879707
Monoisotopic Mass:172.9879707
Topological Polar Surface Area:66
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 618-63-3

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