Basic information
- CAS
1759-05-3- Standard SMILES
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl- InChIKey
YSEMNCKHWQEMTC-UHFFFAOYSA-N- Molecular formula
- C12H6Cl2N2O6S
- Average molar mass
- 377.2 g/mol
- Monoisotopic mass
- 375.9323625
Names & identifiers
- Preferred name
- Bis(4-chloro-3-nitrophenyl) sulphone
- IUPAC
- 1-chloro-4-(4-chloro-3-nitrophenyl)sulfonyl-2-nitrobenzene
- English name
- bis(4-chloro-3-nitrophenyl) sulphone
- Molecular formula
- C12H6Cl2N2O6S
- Molecular weight
- 377.16
Names & synonyms
Bis(4-chloro-3-nitrophenyl) sulphoneNSC 4447Benzene, 1,1'-sulfonylbis[4-chloro-3-nitro-EINECS 217-159-9AI3-04010Benzene, 1,1'-sulfonylbis(4-chloro-3-nitro-DTXSID50170040RefChem:568891DTXCID5092531217-159-91759-05-3bis(4-chloro-3-nitrophenyl) sulfone
Show more names
bis(4-chloro-3-nitrophenyl)sulfone1,1'-sulfonylbis[4-chloro-3-nitro-BenzeneBenzene,1,1'-sulfonylbis[4-chloro-3-nitro-4,4'-Dichloro-3,3'-dinitrodiphenyl sulfone1-chloro-4-(4-chloro-3-nitrophenylsulfonyl)-2-nitroenzene
1-chloro-4-(4-chloro-3-nitrobenzenesulfonyl)-2-nitrobenzene1-chloro-4-(4-chloro-3-nitrophenyl)sulfonyl-2-nitrobenzeneNSC4447MFCD00044066Sulfone, bis(4-chloro-3-nitrophenyl)1,1'-sulfonylbis(4-chloro-3-nitrobenzene)4,4'-Sulfonylbis(1-chloro-2-nitrobenzene)1-chloro-4-(4-chloro-3-nitro-phenyl)sulfonyl-2-nitro-benzene
Database identifiers
- CAS
1759-05-3
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Melting point
- 202 °C · 202 °C
- Boiling point
- 561 · 561.0±50.0 °C(Predicted)
- Density
- 1.673 · 1.673±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
- RIDADR
- 1759 · 1759
- HazardClass
- 8 · 8
- PackingGroup
- III
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- ridadr
- 1759
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H335-H315-H318
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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