2-Chloro-1,4-diethoxybenzene
Basic information
- CAS
52196-74-4- Standard SMILES
CCOc1ccc(OCC)c(Cl)c1- InChIKey
ZIMKMIAIVORSSX-UHFFFAOYSA-N- Molecular formula
- C10H13ClO2
- Average molar mass
- 200.66 g/mol
- Monoisotopic mass
- 200.0604073
Names & identifiers
- Preferred name
- 2-Chloro-1,4-diethoxybenzene
- IUPAC
- 2-chloro-1,4-diethoxybenzene
- English name
- 1-Chloro-2,5-diethoxybenzene
- Molecular formula
- C10H13ClO2
- Molecular weight
- 200.66
Names & synonyms
2-Chloro-1,4-diethoxybenzene1-Chloro-2,5-Diethoxybenzene2,5-DIETHOXYCHLOROBENZENE2,5-Diethoxy-1-chlorobenzeneChloro-2,5-diethoxybenzeneDTXSID7044685Benzene, 2-chloro-1,4-diethoxy-UNII-I978KA1T71I978KA1T71EINECS 257-728-9NSC 89737NSC-89737
Show more names
Chlorodiethoxybenzene2-Chlor-1,4-diethoxybenzol2-chloro-1,4-diethoxy-benzen6-CHLORO-1,4-DIETHOXYBENZENE1-Chloro-2,5-diethoxybenzene >1-CHLORO-2,5-DIETHOXYBENZENE 98+%
DTXCID5024685ZIMKMIAIVORSSX-UHFFFAOYSA-RefChem:86111257-728-9InChI=1/C10H13ClO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4H2,1-2H3ZIMKMIAIVORSSX-UHFFFAOYSA-N52196-74-4MFCD00026765
Database identifiers
- CAS
52196-74-4- PubChem CID
- 40273
- DTXSID
DTXSID7044685- ChEMBL
CHEMBL3183824- UNII
- I978KA1T71
- EC Number
- 257-728-9
- Nikkaji
- J60.208F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 15 °C · 15 °C
- Boiling point
- 266 °C · 266 °C
- Density
- 1.14 · 1.14
- refractive index
- 1.527 · 1.5270-1.5300
- Flash point
- 130 °C · 130°C(lit.)
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Orange to Green
- Specific Gravity
- 1.14 · 1.14
- CAS DataBase Reference
- 52196 · 52196-74-4(CAS DataBase Reference)
- FDA UNII
- 978 KA1T71 · I978KA1T71
- EPA Substance Registry System
- 2 · 2-Chloro-1,4-diethoxybenzene (52196-74-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2909.30.6000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 2-chloro-1,4-diethoxy-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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