Basic information
- CAS
3085-42-5- Standard SMILES
O=S(c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
KJGYFISADIZFEL-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2OS
- Average molar mass
- 271.2 g/mol
- Monoisotopic mass
- 269.9672914
Names & identifiers
- Preferred name
- 1,1'-Sulfinylbis(4-chlorobenzene)
- IUPAC
- 1-chloro-4-(4-chlorophenyl)sulfinylbenzene
- English name
- 4-Chlorophenyl sulfoxide
- Molecular formula
- C12H8Cl2OS
- Molecular weight
- 271.16
Names & synonyms
4-Chlorophenyl sulfoxide3085-42-5Benzene, 1,1'-sulfinylbis[4-chloro-Benzene, 1,1'-sulfinylbis(4-chloro-1,1'-sulfinylbis(4-chlorobenzene)J573M24A77NSC-406205DTXSID70222051,1'-Sulfinylbis[4-chlorobenzene]RefChem:1051630DTXCID602205Bis(4-chlorophenyl) sulfoxide
Show more names
4,4'-Sulfinylbis(chlorobenzene)4-CHLOROPHENYL SULFO4-ChlorphenylsulfoxidLABOTEST-BB LT004553754-Chlorophenylsulphoxide4,4’-Dichlordiphenylsulfoxid
4,4'-dichlordiphenylsulfoxidBis(p-chlorophenyl) sulfoxideBis(p-chlorophenyl)sulfoxidep-Chlorophenyl sulfoxidep,p'-Dichlorodiphenyl sulfoxideDi-p-chlorophenyl sulfoxideSULFOXIDE, BIS(p-CHLOROPHENYL)1-chloro-4-(4-chlorophenyl)sulfinylbenzene
Database identifiers
- CAS
3085-42-5- PubChem CID
- 18329
- DTXSID
DTXSID7022205- UNII
- J573M24A77
- EC Number
- 221-397-9
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 141 · 141-144 °C(lit.)
- Boiling point
- 406.2 · 406.2±30.0 °C(Predicted)
- Density
- 1.3778 · 1.3778 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Light yellow
- CAS DataBase Reference
- 3085 · 3085-42-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 573 M24A77 · J573M24A77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, 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
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- WS2275000
- hs_code
- 29309090
- Toxicity
- LD ipr-mus: >500 mg/kg CBCCT* 2,303,50
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers77 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
1 records
Compound notes
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