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Basic information
- CAS
5791-05-9- Standard SMILES
O=c1[nH]c2cc(Cl)c(S(=O)(=O)Cl)cc2o1- InChIKey
BILROERYVIUOEP-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2NO4S
- Average molar mass
- 268.07 g/mol
- Monoisotopic mass
- 266.91598394
Names & identifiers
- Preferred name
- 5-Chloro-2-oxobenzoxazoline-6-sulphonyl chloride
- IUPAC
- 5-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
- English name
- 5-Chloro-2,3-dihydro-2-oxobenzoxazole-6-sulfonic acid chloride
- Molecular weight
- 0
Names & synonyms
5-Chloro-2-oxobenzoxazoline-6-sulphonyl chlorideEINECS 227-326-8RefChem:534624227-326-85791-05-95-chloro-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride5-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride5-Chloro-2,3-dihydro-2-oxobenzoxazole-6-sulfonic acid chloride5-chloro-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonyl chlorideC7H3Cl2NO4SSCHEMBL5636690SCHEMBL30409525
Show more names
5-chloro-2-oxo2,3-dihydrobenzo[d]oxazole-6-sulfonyl c
DTXSID20973500AKOS009493121DB-332905CS-0261406NS00048120EN300-783945-chloro-6-chlorosulfonyl-3H-benzooxazol-2-oneZ425364766
Database identifiers
- CAS
5791-05-9- PubChem CID
- 79853
- DTXSID
DTXSID20973500- EC Number
- 227-326-8
- Nikkaji
- J218.049I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H302-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H314-H302-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
4 records
Compound notes
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