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3-bromo-5-nitrophenol

3-bromo-5-nitrophenol structure

CAS No:
116632-23-6
Formula:
C6H4BrNO3
Chemical Name:
3-bromo-5-nitrophenol
Synonyms:
Phenol, 3-broMo-5-nitro-;3-Bromo-5-hydroxynitrobenzene;3-Bromo-5-nitrophenol 97%;3-bromo-5-nitrophenol;Phenol, 3-bromo-5-nitro- (Related Reference);3-Bromo-5-nitrophenol96%
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-bromo-5-nitrophenol Basic Attributes

Molecular Weight：

218

Exact Mass：

216.93746

DSSTox ID：

DTXSID90440759

Characteristics

Density：

1.881±0.06 g/cm3

Melting Point：

145 °C

Boiling Point：

310.4±27.0 °C(Predicted)

PKA：

7.38±0.10

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:218.00
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:216.93746
Monoisotopic Mass:216.93746
Topological Polar Surface Area:66
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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