1-methoxy-2-nitrobenzene, 95%

Name: 1-methoxy-2-nitrobenzene
Brand: Chempure
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CAS Number

91-23-6

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IUPAC name	1-methoxy-2-nitrobenzene
inchi	InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
inchi key	CFBYEGUGFPZCNF-UHFFFAOYSA-N
molecular formula	C7H7NO3
synonyms	2-Nitroanisole 1-Methoxy-2-nitrobenzene 91-23-6 O-NITROANISOLE 1-Nitro-2-methoxybenzene
Compound Description	o-Nitroanisole can cause cancer according to The National Toxicology Program. Nitroanisole appears as a light red or amber-colored liquid or crystals. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals. 2-nitroanisole is a member of the class of 2-nitroanisoles that is anisole in which one of the hydrogens ortho to the methoxy group is replaced by a nitro group. It has a role as a carcinogenic agent. 2-Nitroanisole is a synthetic, colorless or slightly yellow liquid that is insoluble in water and soluble in most organic solvents. It is used primarily as a precursor to o-anisidine, which is used extensively in the synthesis of azo dyes. 2-Nitroanisole is also used as an intermediate for the preparation of pharmaceuticals products. The primary routes of potential human exposure to 2-nitroanisole are dermal contact, ingestion and inhalation. It is reasonably anticipated to be a human carcinogen.

Computed Properties

Molecular Weight:	153.14 g/mol
XLogP3:	1.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	153.042593085 Da
Monoisotopic Mass:	153.042593085 Da
Topological Polar Surface Area:	55.1 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	143
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

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (100%) Carc. 1B (100%) Carcinogenicity - category 1B Acute toxicity - category 4 Self-reactive substances and mixtures - Type G Acute toxicity (Oral) - Category 4 Carcinogenicity - Category 2 Specific target organ toxicity - Single exposure - Category 2 (systemic toxicity) Specific target organ toxicity - Repeated exposure - Category 2 (kidney) Hazardous to the aquatic environment (Acute) - Category 3 Hazardous to the aquatic environment (Long-term) - Category 3 Germ cell mutagenicity - Category 2 Specific target organ toxicity - Repeated exposure - Category 2 (blood, liver, spleen, urinary bladder) Carcinogenicity - Category 1B Reproductive toxicity - Category 2 Specific target organ toxicity - Single exposure - Category 2 (systemic) Carcinogens Carc. 1B Acute Tox. 4 *
precautionary statement codes	P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H350 (100%): May cause cancer [Danger Carcinogenicity]
hazards summary	Inhalation of high concentrations can cause methemoglobinemia. The substance may have effects on the blood, resulting in anaemia. An irritant. Effects in high-dose animal studies include methemoglobinemia. See 2021 (Volume 127) monograph at IARC.

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*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-methoxy-2-nitrobenzene
inchi	InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
inchi key	CFBYEGUGFPZCNF-UHFFFAOYSA-N
molecular formula	C7H7NO3
synonyms	2-Nitroanisole 1-Methoxy-2-nitrobenzene 91-23-6 O-NITROANISOLE 1-Nitro-2-methoxybenzene
Compound Description	o-Nitroanisole can cause cancer according to The National Toxicology Program. Nitroanisole appears as a light red or amber-colored liquid or crystals. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals. 2-nitroanisole is a member of the class of 2-nitroanisoles that is anisole in which one of the hydrogens ortho to the methoxy group is replaced by a nitro group. It has a role as a carcinogenic agent. 2-Nitroanisole is a synthetic, colorless or slightly yellow liquid that is insoluble in water and soluble in most organic solvents. It is used primarily as a precursor to o-anisidine, which is used extensively in the synthesis of azo dyes. 2-Nitroanisole is also used as an intermediate for the preparation of pharmaceuticals products. The primary routes of potential human exposure to 2-nitroanisole are dermal contact, ingestion and inhalation. It is reasonably anticipated to be a human carcinogen.

Computed Properties

Molecular Weight:	153.14 g/mol
XLogP3:	1.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	153.042593085 Da
Monoisotopic Mass:	153.042593085 Da
Topological Polar Surface Area:	55.1 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	143
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

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (100%) Carc. 1B (100%) Carcinogenicity - category 1B Acute toxicity - category 4 Self-reactive substances and mixtures - Type G Acute toxicity (Oral) - Category 4 Carcinogenicity - Category 2 Specific target organ toxicity - Single exposure - Category 2 (systemic toxicity) Specific target organ toxicity - Repeated exposure - Category 2 (kidney) Hazardous to the aquatic environment (Acute) - Category 3 Hazardous to the aquatic environment (Long-term) - Category 3 Germ cell mutagenicity - Category 2 Specific target organ toxicity - Repeated exposure - Category 2 (blood, liver, spleen, urinary bladder) Carcinogenicity - Category 1B Reproductive toxicity - Category 2 Specific target organ toxicity - Single exposure - Category 2 (systemic) Carcinogens Carc. 1B Acute Tox. 4 *
precautionary statement codes	P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H350 (100%): May cause cancer [Danger Carcinogenicity]
hazards summary	Inhalation of high concentrations can cause methemoglobinemia. The substance may have effects on the blood, resulting in anaemia. An irritant. Effects in high-dose animal studies include methemoglobinemia. See 2021 (Volume 127) monograph at IARC.

Product No: CR7774

1-methoxy-2-nitrobenzene, 95%

Product No: CR7774

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: CR7774

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?