1,2,3,4-Tetrachloro-5,5-dimethoxycyclopenta-1,3-diene

HCID 75154
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Basic information

CAS
2207-27-4
Standard SMILES
COC1(OC)C(Cl)=C(Cl)C(Cl)=C1Cl
InChIKey
UHSMEJQTFMHABA-UHFFFAOYSA-N
Molecular formula
C7H6Cl4O2
Average molar mass
263.9 g/mol
Monoisotopic mass
261.91219

Names & identifiers

Preferred name
1,2,3,4-Tetrachloro-5,5-dimethoxycyclopenta-1,3-diene
IUPAC
1,2,3,4-tetrachloro-5,5-dimethoxycyclopenta-1,3-diene
English name
1,2,3,4-Tetrachloro-5,5-dimethoxycyclopentadiene
Molecular formula
C7H6Cl4O2
Molecular weight
263.93

Names & synonyms

1,2,3,4-Tetrachloro-5,5-dimethoxycyclopenta-1,3-diene1,3-Cyclopentadiene, 1,2,3,4-tetrachloro-5,5-dimethoxy-DTXSID20176559NSC 5584EINECS 218-623-3AI3-23893RefChem:410493DTXCID7099050218-623-3InChI=1/C7H6Cl4O2/c1-12-7(13-2)5(10)3(8)4(9)6(7)11/h1-2H2207-27-45,5-Dimethoxy-1,2,3,4-tetrachlorocyclopentadiene
Show more names
5 5-DIMETHOXY-1 2 3 4-TETRACHLOROCYCLO-&Tetrachlorocyclopentadiene dimethyl ketalTetrachlorocyclopentadienone dimethyl acetal2,3,4,5-Tetrachloro-1,1-dimethoxycyclopentadiene1,1-Dimethoxy-2,3,4,5-tetrachlorocyclopentadieneCyclopentadienone, tetrachloro-, dimethyl acetal
1,2,3,4-Tetrachloro-5,5-dimethoxycyclopentadieneMFCD000013535,5-Dimethyl-1,2,3,4-tetrachlorocyclopentadiene1,2,3,4-Tetrachloro-5,5-dimethoxy-1,3-cyclopentadieneC7H6Cl4O2NSC55842,3,4,5-Tetrachlorocyclopentadienone dimethyl acetal5,5-Dimethoxytetrachlorocyclopentadiene

Database identifiers

CAS
2207-27-4
PubChem CID
75154
DTXSID
DTXSID20176559
ChEMBL
CHEMBL4072829
EC Number
218-623-3
Nikkaji
J149.981E

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

Experimental & physicochemical properties

Kovats Retention Index1364.2

Physicochemical properties

Melting point
26 · 26-28 °C
Boiling point
108 · 108-110 °C11 mm Hg(lit.)
Density
1.501 g/mL · 1.501 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.525
Flash point
152 °F · 152 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 Information1,3-Cyclopentadiene, 1,2,3,4-tetrachloro-5,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Regulatory information

Regulatory Information1,3-Cyclopentadiene, 1,2,3,4-tetrachloro-5,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk
3
hs_code
29110000
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25
Hazard statements
H315-H319

Chemistry & industry

Applications

Uses5,5-Dimethoxy-1,2,3,4-tetrachlorocyclopentadiene, can form endo-adduct with 1,3-cyclopentadiene.

Preparation methods

Preparation1,2,3,4-Tetrachloro-5,5-dimethoxycyclopentadiene can be prepared from dechlorination of hexachlorocyclopentadiene in methanolic potassium hydroxide solution.

Suppliers28 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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