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2-Methyl-3-nitroaniline 97%

CAT: 0286-M22710-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-M22710-01Size:25 g
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CAS Number
603-83-8
UN Code
UN2660
Pictogram
06 - Acute Toxicity; 08 - Health Hazard; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00007731
Hazard Statement
H301 Toxic if swallowed; H311 Toxic in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H331 Toxic if inhaled; H335 May cause respiratory irritation; H411 Toxic to aquatic life with long-lasting effects.
DOT Name
Nitrotoluidine (Mono)
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P271 Use only outdoors or in a well-ventilated area; 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; P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Chemical Information

2-Methyl-3-nitroaniline

2-methyl-3-nitroaniline appears as yellow rhombic needles (from water) or bright yellow powder. (NTP, 1992)

CAS Number603-83-8
PubChem CID11783
IUPAC Name2-methyl-3-nitroaniline
Molecular FormulaC7H8N2O2
Molecular Weight152.15
XLogP1.8
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity155
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])N
InChI
InChI=1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3
InChIKey
HFCFJYRLBAANKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-3-nitroaniline
CAS: 603-83-8
CID: 11783
Formula: C7H8N2O2
MW: 152.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.15
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass152.058577502
Monoisotopic Mass152.058577502
Topological Polar Surface Area71.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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