4-tert-Butyl-2,6-dinitrochlorobenzene

HCID 75176
NotesReactions
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Basic information

CAS
2213-81-2
Standard SMILES
CC(C)(C)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
InChIKey
FRFMLDNFLXIDSH-UHFFFAOYSA-N
Molecular formula
C10H11ClN2O4
Average molar mass
258.66 g/mol
Monoisotopic mass
258.04073451

Names & identifiers

Preferred name
4-tert-Butyl-2,6-dinitrochlorobenzene
IUPAC
5-tert-butyl-2-chloro-1,3-dinitrobenzene
English name
2-Chloro-5-(1,1-dimethylethyl)-1,3-dinitrobenzene
Molecular formula
C10H11ClN2O4
Molecular weight
258.66

Names & synonyms

4-tert-Butyl-2,6-dinitrochlorobenzene2-CHLORO-5-(1,1-DIMETHYLETHYL)-1,3-DINITROBENZENEEINECS 218-672-0QE3CA59X6A2,6-dinitro-4-tert-butylchlorobenzeneDTXSID00176658Benzene, 2-chloro-5-(1,1-dimethylethyl)-1,3-dinitro-RefChem:100502DTXCID1099149218-672-02213-81-25-tert-butyl-2-chloro-1,3-dinitrobenzene
Show more names
N-ethyl-N-(3-pyridinylazo)ethanamine
5-(tert-Butyl)-2-chloro-1,3-dinitrobenzeneUNII-QE3CA59X6ASCHEMBL49406222,6-dinitro-4-t-butylchlorobenzene4-t-Butyl-2,6-dinitrochlorobenzene2,6-dinitro-4-t-butyl-chlorobenzene4-t-butyl-2,6-dinitro chlorobenzeneAKOS016014192

Database identifiers

CAS
2213-81-2
PubChem CID
75176
DTXSID
DTXSID00176658
UNII
QE3CA59X6A
EC Number
218-672-0
Nikkaji
J299.170E

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
91.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17

Physicochemical properties

Melting point
113 · 113-115°C
FDA UNII
3 CA59X6A · QE3CA59X6A
REACH Registrations
Active

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25999
Hazard Classes and CategoriesNot Classified

Safety data

REACH Registrations
Active

Chemistry & industry

Applications

Uses2-Chloro-5-(1,1-dimethylethyl)-1,3-dinitrobenzene is a reagent used in the praprataiton of alpha-chloro ketones.

Upstream & downstream products

Downstream products

Suppliers26 total

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

23 records
New reaction record

Compound notes

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