1,3-Dichloro-2-methoxy-5-nitrobenzene

HCID 309716
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Substructure searchFind similar structures

Basic information

CAS
17742-69-7
Standard SMILES
COc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIKey
GJYVJKPFYCKNEC-UHFFFAOYSA-N
Molecular formula
C7H5Cl2NO3
Average molar mass
222.02 g/mol
Monoisotopic mass
220.96464838

Names & identifiers

Preferred name
1,3-Dichloro-2-methoxy-5-nitrobenzene
IUPAC
1,3-dichloro-2-methoxy-5-nitrobenzene
English name
2,6-Dichloro-4-nitroanisole
Molecular formula
C7H5Cl2NO3
Molecular weight
222.03

Names & synonyms

1,3-dichloro-2-methoxy-5-nitrobenzene17742-69-7EC 403-350-6DTXSID00938930NSC 212118RefChem:414302DTXCID201367445403-350-6Benzene, 1,3-dichloro-2-methoxy-5-nitro-MFCD00061129NSC212118SCHEMBL2105879
Show more names
4-Nitro-2,6-dichloroanisole2,6-Dichloro-4-nitroanisole1,3-Dichloro-2-Methoxy-5-Nitro2,6-Dichloro-4-nitroanisole>2,6-DICHLORO-4-NITROANISOLE 99%2,6-Dichloro-4-nitroanisole, 98%3,5-Dichloro-4-methoxynitrobenzene2.6-Dichlor-4-nitro-1-Methoxy-benzol1,3-Dichloro-5-Methoxy-2-nitrobenzene
AKOS005600597NSC-2121181,3-dichloro-2-methoxy-5-nitro-benzeneD2872I10089AMY142882,6-Dichloro-4-nitrophenyl methyl etherA812256

Database identifiers

CAS
17742-69-7
PubChem CID
309716
DTXSID
DTXSID00938930
EC Number
403-350-6、605-800-9
Nikkaji
J82.671E

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Melting point
97 · 97-100 °C
Boiling point
305.6 · 305.6±37.0 °C(Predicted)
Density
1.5223 · 1.5223 (rough estimate)
refractive index
1.614 · 1.6140 (estimate)
Flash point
160 °C · 160 °C
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 16-08-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/4129
Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

ridadr
2811
hs_code
29049095
risk_code
51/53-25
Signal word
Danger
Symbol(GHS)
GHS06,GHS08,GHS09
hazard_code
N-T,T,N

Chemistry & industry

Applications

Uses2,6-Dichloro-4-nitroanisole can be used for thyroid hormone receptor agonists.

Upstream & downstream products

Suppliers90 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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