4-Amino-3-nitroanisole

CAT: 0286-A25840Size: 100 gDry Ice: NoHazardous: Yes

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CAT#:0286-A25840Size:100 g

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CAS Number

96-96-8

UN Code

UN2811

Pictogram

06 - Acute Toxicity; 08 - Health Hazard; 09 - Environmental hazard

UDF Signal Word

Danger

MDL Number

MFCD00007152

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H330 Fatal if inhaled; H373 Causes damage to organs through prolonged or repeated exposure; H412 Harmful to aquatic life with-long lasting effects.

DOT Name

Toxic Solids, Organic, N.O.S.

DOT Classification

Class 6.1

Packaging Group

PGII

Precautions

P260 Do not breathe dust/fume/gas/mist/vapors/spray; P273 Avoid release to the environment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P284 Wear respiratory protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; 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

4-Methoxy-2-nitroaniline

4-methoxy-2-nitroaniline is a substituted aniline that is 3-nitroanisole in which the hydrogen para to the methoxy group is replaced by an amino group. It is a member of 3-nitroanisoles and a substituted aniline.

CAS Number	96-96-8
PubChem CID	66793
IUPAC Name	4-methoxy-2-nitroaniline
Molecular Formula	C7H8N2O3
Molecular Weight	168.15
XLogP	1.9
Topological Polar Surface Area	81.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	169

SMILES

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

InChI

InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3

InChIKey

QFMJFXFXQAFGBO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96-96-8

CID: 66793

Formula: C7H8N2O3

MW: 168.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	168.15
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	168.05349212
Monoisotopic Mass	168.05349212
Topological Polar Surface Area	81.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
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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FF67718-01	4-Fluoro-3-nitroanisole
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4-Amino-3-nitroanisole

Chemical Information

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