2-Nitrodiphenylamine

CAT: 0024-sc-216260Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-216260Size:100 g

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CAS Number

119-75-5

Chemical Information

2-Nitrodiphenylamine

2-nitrodiphenylamine appears as red-brown crystalline powder or reddish-brown solid. (NTP, 1992)

CAS Number	119-75-5
PubChem CID	8407
IUPAC Name	2-nitro-N-phenylaniline
Molecular Formula	C12H10N2O2
Molecular Weight	214.22
XLogP	3.7
Topological Polar Surface Area	57.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	234

SMILES

C1=CC=C(C=C1)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H

InChIKey

RUKISNQKOIKZGT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119-75-5

CID: 8407

Formula: C12H10N2O2

MW: 214.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.22
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	214.074227566
Monoisotopic Mass	214.074227566
Topological Polar Surface Area	57.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	234
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
Compound Is Canonicalized	Yes

Catalog	Name
sc-484392	2-Methoxy-6-nitrophenylamine
sc-210925	Bis- (4-nitrophenyl) -2-nitrophenylamine
sc-257864	N-Nitrosodiphenylamine-2,2',4,4',6,6'-d6
sc-257863	N-Nitrosodiphenylamine
sc-485633	4-Nitrosodiphenylamine
sc-477363	N-Nitrosodiphenylamine-d10
sc-486038	4- (Dimethylamino) -4'-nitrosodiphenylamine
sc-209283	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) benzoate
sc-209282	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol

Catalog	Name
89967747	2-Nitrodiphenylamine
268186-01	5-Chloro-2-nitrodiphenylamine
TRC-C382525-100MG	4-Chloro-2-nitrodiphenylamine
S-2717	2-Nitrodiphenylamine - 1ML
N08695-01	2-Nitrodiphenylamine 98%
PC106921	2,6-Difluoro-2'-nitrodiphenylamine
T87950-01	4-Nitrodiphenylamine
C16038-01	5-Chloro-2-nitrodiphenylamine 98%
OR4253-01	4'-Chloro-2-nitrodiphenylamine
TRC-C373922-100MG	5-Chloro-2-nitrodiphenylamine-d5