Sulfone, p-chlorobenzyl 2-chloroethyl
Basic information
- CAS
71501-39-8- Standard SMILES
O=S(=O)(CCCl)Cc1ccc(Cl)cc1- InChIKey
VYKADJACAOZSEZ-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2O2S
- Average molar mass
- 253.14 g/mol
- Monoisotopic mass
- 251.9778561
Names & identifiers
- Preferred name
- Sulfone, p-chlorobenzyl 2-chloroethyl
- IUPAC
- 1-chloro-4-(2-chloroethylsulfonylmethyl)benzene
- English name
- 1-chloro-4-[[(2-chloroethyl)sulphonyl]methyl]benzene
- Molecular formula
- C9H10Cl2O2S
- Molecular weight
- 253.15
Names & synonyms
p-Chlorobenzyl 2-chloroethyl sulfoneSulfone, p-chlorobenzyl 2-chloroethylEINECS 275-567-2A5ZY6D6BV7BRN 32852521-CHLORO-4-[[(2-CHLOROETHYL)SULPHONYL]METHYL]BENZENENSC-2025651-Chloro-4-(((2-chloroethyl)sulfonyl)methyl)benzene1-Chloro-4-(((2-chloroethyl)sulphonyl)methyl)benzeneDTXSID202217354-06-00-02771 (Beilstein Handbook Reference)NSC 202565
Show more names
(p-Chlorobenzyl)(2-chloroethyl) sulfone
(2-CHLORO-ETHYL)-(4-CHLORO-BENZYL)-SULFONEBenzene, 1-chloro-4-[[(2-chloroethyl)sulfonyl]methyl]-1-CHLORO-4-[[(2-CHLOROETHYL)SULFONYL]METHYL]BENZENEBENZENE, 1-CHLORO-4-(((2-CHLOROETHYL)SULFONYL)METHYL)-RefChem:186581DTXCID5014422671501-39-81-chloro-4-(2-chloroethylsulfonylmethyl)benzene
Database identifiers
- CAS
71501-39-8- PubChem CID
- 99233
- DTXSID
DTXSID20221735- UNII
- A5ZY6D6BV7
- EC Number
- 275-567-2
- Nikkaji
- J90.676J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 119 · 119-120 °C
- Boiling point
- 428.1 · 428.1±35.0 °C(Predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- FDA UNII
- 5 ZY6D6BV7 · A5ZY6D6BV7
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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