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6-Chloro-2,4-dinitroaniline 97%

CAT: 0286-C11665Size: 500 gDry Ice: NoHazardous: No
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CAT#:0286-C11665Size:500 g
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CAS Number
3531-19-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00007147
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face 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

6-Chloro-2,4-dinitroaniline
CAS Number3531-19-9
PubChem CID19052
IUPAC Name2-chloro-4,6-dinitroaniline
Molecular FormulaC6H4ClN3O4
Molecular Weight217.57
XLogP2.1
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity250
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2
InChIKey
LHRIICYSGQGXSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-2,4-dinitroaniline
CAS: 3531-19-9
CID: 19052
Formula: C6H4ClN3O4
MW: 217.57
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight217.57
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass216.9890333
Monoisotopic Mass216.9890333
Topological Polar Surface Area118 Ų
Heavy Atom Count14
Formal Charge0
Complexity250
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