Benzenamine,3-chloro-5-nitro- 5344-44-5 CAS NO.5344-44-5

Min.Order: 1 Gram
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Product Details

Keywords

Benzenamine,3-chloro-5-nitro-
5344-44-5
C6H5 Cl N2 O2

Quick Details

ProName: Benzenamine,3-chloro-5-nitro- 5344-44...
CasNo: 5344-44-5
Molecular Formula: C6H5 Cl N2 O2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: As client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
Benzenamine,3-chloro-5-nitro-
【Iupac name】
3-chloro-5-nitroaniline
【CAS Registry number】
5344-44-5
【Synonyms】
Aniline,3-chloro-5-nitro- (8CI)
3-Chloro-5-nitroaniline
5-Chloro-3-nitroaniline
NSC1117
【Molecular Formula】
C6H5 Cl N2 O2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C6H5ClN2O2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H,8H2
【Canonical SMILES】
C1=C(C=C(C=C1[N+](=O)[O-])Cl)N
【MOL File】
5344-44-5.mol
Chemical and Physical Properties
【Density】
1.494g/cm3
【Boiling Point】
332.7°Cat760mmHg
【Refractive Index】
1.646
【Flash Point】
155°C
【Computed Properties】
Molecular Weight:172.5691 [g/mol]
Molecular Formula:C6H5ClN2O2
XLogP3:1.8
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:172.003955
MonoIsotopic Mass:172.003955
Topological Polar Surface Area:71.8
Heavy Atom Count:11
Formal Charge:0
Complexity:159
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
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

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