1-Chloro-3,5-dinitrobenzene

HCID 33098
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Basic information

CAS
618-86-0
Standard SMILES
O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1
InChIKey
GFJKASVFAWFUNI-UHFFFAOYSA-N
Molecular formula
C6H3ClN2O4
Average molar mass
202.55 g/mol
Monoisotopic mass
201.97813426

Names & identifiers

Preferred name
1-Chloro-3,5-dinitrobenzene
IUPAC
1-chloro-3,5-dinitrobenzene
English name
1-chloro-3,5-dinitrobenzene
Molecular formula
C6H3ClN2O4
Molecular weight
202.55

Names & synonyms

1-chloro-3,5-dinitrobenzene618-86-03,5-dinitrochlorobenzeneBenzene, 1-chloro-3,5-dinitro-m-DinitrochlorobenzeneUNII-770VEP8T4H770VEP8T4HRefChem:753741-chloro-3,5-dinitro-benzeneMFCD111063495-chloro-1,3-dinitrobenzene3,5-dinitrobenzolyl chloride
Show more names
1,3-Dinitro-5-chlorobenzene
SCHEMBL908704SCHEMBL1943699DTXSID501310667AKOS009350047AS-49984CS-0326859O103961-Chloro-3,5-dinitrobenzene; m-Dinitrochlorobenzene

Database identifiers

CAS
618-86-0
PubChem CID
33098
DTXSID
DTXSID501310667
UNII
770VEP8T4H
Nikkaji
J95.414D

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
91.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Melting point
176 ℃ · 176℃
Boiling point
285 ℃ · 285℃
Density
1.619 · 1.619
Flash point
126 ℃ · 126℃
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Applications

UsesIt reportedly could be used for the same purposes as 4-chloro-1,2-dinitrobenzene.

Upstream & downstream products

Downstream products

Suppliers11 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]

Related reactions

15 records
New reaction record

Compound notes

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