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2,4,5-Trichloroaniline

CAT: 0286-T19245-01Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-T19245-01Size:100 g
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CAS Number
636-30-6
UN Code
UN2811
Pictogram
06 - Acute Toxicity; 08 - Health Hazard; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00007662
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; H373 Causes damage to organs through prolonged or repeated exposure; H411 Toxic 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; 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; P273 Avoid release to the environment; 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

2,4,5-Trichloroaniline

structure in first source

CAS Number636-30-6
PubChem CID12487
IUPAC Name2,4,5-trichloroaniline
Molecular FormulaC6H4Cl3N
Molecular Weight196.5
XLogP3.7
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity120
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)N
InChI
InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChIKey
GUMCAKKKNKYFEB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5-Trichloroaniline
CAS: 636-30-6
CID: 12487
Formula: C6H4Cl3N
MW: 196.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass194.940932
Monoisotopic Mass194.940932
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity120
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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