O-Nitroanisole

CAT: 0286-N06490-02Size: 4K gDry Ice: NoHazardous: Yes

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CAT#:0286-N06490-02Size:4K g

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CAS Number

91-23-6

Synonyms

Methoxy-2-nitrobenzene

UN Code

UN2730

Pictogram

06 - Acute Toxicity; 08 - Health Hazard

UDF Signal Word

Danger

MDL Number

MFCD00007096

Hazard Statement

H301 Toxic if swallowed; H311 Toxic in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H331 Toxic if inhaled; H335 May cause respiratory irritation; H350 May cause cancer; H370 Causes damage to organs.

DOT Name

Nitroanisoles, Liquid

DOT Classification

Class 6.1

Packaging Group

PGIII

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2-Nitroanisole

o-Nitroanisole can cause cancer according to The National Toxicology Program.

CAS Number	91-23-6
PubChem CID	7048
IUPAC Name	1-methoxy-2-nitrobenzene
Molecular Formula	C7H7NO3
Molecular Weight	153.14
XLogP	1.7
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	143

SMILES

COC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3

InChIKey

CFBYEGUGFPZCNF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91-23-6

CID: 7048

Formula: C7H7NO3

MW: 153.14

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	153.14
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	153.042593085
Monoisotopic Mass	153.042593085
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

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Chemical Information

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