4,5-Dichloro-n-methyl-2-nitroaniline

HCID 289317
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Basic information

CAS
107342-18-7
Standard SMILES
CNc1cc(Cl)c(Cl)cc1[N+](=O)[O-]
InChIKey
KVAANWDMOIROOR-UHFFFAOYSA-N
Molecular formula
C7H6Cl2N2O2
Average molar mass
221.04 g/mol
Monoisotopic mass
219.9806328

Names & identifiers

Preferred name
4,5-Dichloro-n-methyl-2-nitroaniline
IUPAC
4,5-dichloro-N-methyl-2-nitroaniline
English name
(4,5-Dichloro-2-nitro-phenyl)-methyl-amine
Molecular formula
C7H6Cl2N2O2
Molecular weight
221.04

Names & synonyms

4,5-dichloro-n-methyl-2-nitroaniline107342-18-7Benzenamine, 4,5-dichloro-N-methyl-2-nitro-DTXSID00302455RefChem:285338DTXCID50253589KVAANWDMOIROOR-UHFFFAOYSA-NNSC1510294,5-dichloro-2-nitro-N-methylaniline4,5-dichloro-N-methyl-2-nitrobenzenamineSCHEMBL932509MFCD00186241
Show more names
AKOS000425299AT22980NSC-1510294,5-dichloro-2-nitro-N-methyl-aniline4,5-dichloro-N-methyl-2-nitro-anilineDS-016774(4,5-Dichloro-2-nitro-phenyl)-methyl-amineCS-0130841

Database identifiers

CAS
107342-18-7
PubChem CID
289317
DTXSID
DTXSID00302455
Nikkaji
J1.474.440A

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
57.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
147.5 · 147.5-148.0 °C
Boiling point
357.1 · 357.1±42.0 °C(Predicted)
Density
1.528 · 1.528±0.06 g/cm3(Predicted)
pka
-2.48 · -2.48±0.25(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers4 total

苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
湖北省善乐兴生物科技有限公司18321145570 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

12 records
New reaction record

Compound notes

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