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Product No: CU0348

Methyl 2-(bromomethyl)-3-nitrobenzoate, 98%

Name: Methyl 2-(bromomethyl)-3-nitrobenzoate
Brand: Chempure

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CAS Number

98475-07-1

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About this item

IUPAC name	methyl 2-(bromomethyl)-3-nitrobenzoate
canonical smiles	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CBr
inchi	InChI=1S/C9H8BrNO4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,5H2,1H3
inchi key	FCGIVHSBEKGQMZ-UHFFFAOYSA-N
molecular formula	C9H8BrNO4
synonyms	98475-07-1 Methyl 2-(bromomethyl)-3-nitrobenzoate Methyl 2-bromomethyl-3-nitrobenzoate 2-(Bromomethyl)-3-nitrobenzoic acid methyl ester methyl 2-bromomethyl-3-nitro-benzoate

Computed Properties

Molecular Weight:	274.07 g/mol
XLogP3:	2.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	272.96367 g/mol
Monoisotopic Mass:	272.96367 g/mol
Topological Polar Surface Area:	72.1 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	253
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

3-Nitrotoluene

1,3-Dinitrobenzene

2,6-Dinitrotoluene

2,6-Dinitrophenol

3-Nitrobenzaldehyde

2,3-Dichloronitrobenzene

4-Chloro-3,5-dinitrobenzotrifluoride

3-Nitrobenzoic acid

2-Chloro-1,3-dinitrobenzene

3'-Nitroacetophenone

3-Nitrobenzoyl chloride

3-Nitrobenzotrifluoride

3-Nitrobenzyl chloride

3-Nitrobenzamide

2-Methyl-3-nitrobenzoic acid

hazard signal	Danger
hazard classes and categories	Met. Corr. 1 (25%) Skin Corr. 1B (75%) Eye Dam. 1 (25%) STOT SE 3 (50%) Muta. 1B (25%) Carc. 1B (25%) STOT RE 2 (25%)
precautionary statement codes	P203, P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501
hazard statements	H290 (25%): May be corrosive to metals [Warning Corrosive to Metals] H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H340 (25%): May cause genetic defects [Danger Germ cell mutagenicity] H350 (25%): May cause cancer [Danger Carcinogenicity] H373 (25%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

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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	methyl 2-(bromomethyl)-3-nitrobenzoate
canonical smiles	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CBr
inchi	InChI=1S/C9H8BrNO4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,5H2,1H3
inchi key	FCGIVHSBEKGQMZ-UHFFFAOYSA-N
molecular formula	C9H8BrNO4
synonyms	98475-07-1 Methyl 2-(bromomethyl)-3-nitrobenzoate Methyl 2-bromomethyl-3-nitrobenzoate 2-(Bromomethyl)-3-nitrobenzoic acid methyl ester methyl 2-bromomethyl-3-nitro-benzoate

Computed Properties

Molecular Weight:	274.07 g/mol
XLogP3:	2.2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	272.96367 g/mol
Monoisotopic Mass:	272.96367 g/mol
Topological Polar Surface Area:	72.1 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	253
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

3-Nitrotoluene

1,3-Dinitrobenzene

2,6-Dinitrotoluene

2,6-Dinitrophenol

3-Nitrobenzaldehyde

2,3-Dichloronitrobenzene

4-Chloro-3,5-dinitrobenzotrifluoride

3-Nitrobenzoic acid

2-Chloro-1,3-dinitrobenzene

3'-Nitroacetophenone

3-Nitrobenzoyl chloride

3-Nitrobenzotrifluoride

3-Nitrobenzyl chloride

3-Nitrobenzamide

2-Methyl-3-nitrobenzoic acid

hazard signal	Danger
hazard classes and categories	Met. Corr. 1 (25%) Skin Corr. 1B (75%) Eye Dam. 1 (25%) STOT SE 3 (50%) Muta. 1B (25%) Carc. 1B (25%) STOT RE 2 (25%)
precautionary statement codes	P203, P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501
hazard statements	H290 (25%): May be corrosive to metals [Warning Corrosive to Metals] H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H340 (25%): May cause genetic defects [Danger Germ cell mutagenicity] H350 (25%): May cause cancer [Danger Carcinogenicity] H373 (25%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Product No: CU0348

Methyl 2-(bromomethyl)-3-nitrobenzoate, 98%

Product No: CU0348

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: CU0348

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?