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Product No: AR0526

1-Bromo-2-nitrobenzene, 95%

Name: 1-Bromo-2-nitrobenzene
Brand: Chempure

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CAS Number

577-19-5

Molecular Weight

202.01

Formula

BrC6H4NO2

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About this item

IUPAC name	1-bromo-2-nitrobenzene
canonical smiles	C1=CC=C(C(=C1)[N+](=O)[O-])Br
inchi	InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
inchi key	ORPVVAKYSXQCJI-UHFFFAOYSA-N
molecular formula	C6H4BrNO2
synonyms	1-Bromo-2-nitrobenzene 577-19-5 2-Bromonitrobenzene O-BROMONITROBENZENE 2-Nitrobromobenzene

Computed Properties

Molecular Weight:	202.01 g/mol
XLogP3:	2.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	200.94254 g/mol
Monoisotopic Mass:	200.94254 g/mol
Topological Polar Surface Area:	45.8 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	134
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzoic Acid

Trigonelline

Nitrobenzene

4-Nitroaniline

1,2-Dinitrobenzene

3-Nitrotoluene

3-Nitroaniline

4-Nitrotoluene

2-Nitrotoluene

1-Chloro-2-nitrobenzene

2-Nitroaniline

3-Chlorobenzoic acid

2-Nitroanisole

3-Nitrophenol

3-Methyl-4-nitrophenol

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (11.76%) Acute Tox. 4 (84.31%) Skin Irrit. 2 (88.24%) Eye Irrit. 2 (88.24%) STOT SE 3 (100%) STOT RE 2 (17.65%)
precautionary statement codes	P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (11.76%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (84.31%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (11.76%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (88.24%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (88.24%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H373 (17.65%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
hazards summary	A skin and strong eye irritant. May induce methemoglobinemia. Harmful by ingestion, inhalation, and skin absorption. May have cumulative adverse effects to health.

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Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1-bromo-2-nitrobenzene
canonical smiles	C1=CC=C(C(=C1)[N+](=O)[O-])Br
inchi	InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
inchi key	ORPVVAKYSXQCJI-UHFFFAOYSA-N
molecular formula	C6H4BrNO2
synonyms	1-Bromo-2-nitrobenzene 577-19-5 2-Bromonitrobenzene O-BROMONITROBENZENE 2-Nitrobromobenzene

Computed Properties

Molecular Weight:	202.01 g/mol
XLogP3:	2.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	200.94254 g/mol
Monoisotopic Mass:	200.94254 g/mol
Topological Polar Surface Area:	45.8 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	134
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzoic Acid

Trigonelline

Nitrobenzene

4-Nitroaniline

1,2-Dinitrobenzene

3-Nitrotoluene

3-Nitroaniline

4-Nitrotoluene

2-Nitrotoluene

1-Chloro-2-nitrobenzene

2-Nitroaniline

3-Chlorobenzoic acid

2-Nitroanisole

3-Nitrophenol

3-Methyl-4-nitrophenol

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (11.76%) Acute Tox. 4 (84.31%) Skin Irrit. 2 (88.24%) Eye Irrit. 2 (88.24%) STOT SE 3 (100%) STOT RE 2 (17.65%)
precautionary statement codes	P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (11.76%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (84.31%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (11.76%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (88.24%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (88.24%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H373 (17.65%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
hazards summary	A skin and strong eye irritant. May induce methemoglobinemia. Harmful by ingestion, inhalation, and skin absorption. May have cumulative adverse effects to health.

Product No: AR0526

1-Bromo-2-nitrobenzene, 95%

Product No: AR0526

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AR0526

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?