5-Nitroisophthaloyl chloride

HCID 83451CAS 13438-30-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Cl)c1cc(C(=O)Cl)cc([N+](=O)[O-])c1
InChIKey
OHIVUAREQFICPK-UHFFFAOYSA-N
Molecular formula
C8H3Cl2NO4
Average molar mass
248.02 g/mol
Monoisotopic mass
246.943913

Names & identifiers

Preferred name
5-Nitroisophthaloyl chloride
IUPAC
5-nitrobenzene-1,3-dicarbonyl chloride
English name
5-nitroisophthaloyl chloride
Molecular formula
C8H3Cl2NO4
Molecular weight
0

Names & synonyms

5-Nitroisophthaloyl chloride13438-30-75-nitrobenzene-1,3-dicarbonyl chloride5-nitro-1,3-benzenedicarbonyl dichloride1,3-Benzenedicarbonyldichloride, 5-nitro-5-Nitroisophthaloyl dichloride1,3-Benzenedicarbonyl dichloride, 5-nitro-1,3-BENZENEDICARBONYL DICHLORIDE,5-NITROEINECS 236-575-15-Nitroisopthaloyl chlorideGK5QV82UE85-NITROBENZENE-1,3-DICARBONYL DICHLORIDE
Show more names
5-Nitroisophthalic acid dichloride5-nitrobenzene-1，3-dicarbonyl chloride
SCHEMBL7287575-Nitroisophthaloyl dichloride #DTXSID901586805-nitro-isophthalic acid dichloride5-nitro-1,3-benzenedicarbonylchloride5-nitro-1,3-benzenedicarbonyl chlorideAS-76315DB-124052

Database identifiers

CAS
13438-30-7
PubChem CID
83451
DTXSID
DTXSID90158680
UNII
GK5QV82UE8
EC Number
236-575-1
Nikkaji
J28.753I

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
80 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers8 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]

Related reactions

11 records
New reaction record

Linked notes

Loading…