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2-Chloro-5-nitroaniline

CAT: 0286-C15560-01Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-C15560-01Size:100 g
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CAS Number
6283-25-6
Synonyms
1-Amino-2-chloro-5-nitrobenzene; 5-Nitro-2-chloroaniline
UN Code
UN2237
Pictogram
06 - Acute Toxicity; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00007668
Hazard Statement
H301 Toxic if swallowed; H310 Fatal in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H330 Fatal 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
Chloronitroanilines
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P262 Do not get in eyes, on skin, or on clothing; P264 Wash skin thoroughly after handling; 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; P284 Wear respiratory 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-Chloro-5-nitroaniline
CAS Number6283-25-6
PubChem CID22691
IUPAC Name2-chloro-5-nitroaniline
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57
XLogP2.1
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity159
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])N)Cl
InChI
InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
InChIKey
KWIXNFOTNVKIGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5-nitroaniline
CAS: 6283-25-6
CID: 22691
Formula: C6H5ClN2O2
MW: 172.57
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.57
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass172.0039551
Monoisotopic Mass172.0039551
Topological Polar Surface Area71.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity159
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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