Basic information
- CAS
7516-60-1- Standard SMILES
O=C(Cl)c1ccc(S(=O)(=O)Cl)cc1- InChIKey
JYJUMAFOXPQPAU-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2O3S
- Average molar mass
- 239.07 g/mol
- Monoisotopic mass
- 237.9258205
Names & identifiers
- Preferred name
- 4-(Chlorosulphonyl)benzoyl chloride
- IUPAC
- 4-chlorosulfonylbenzoyl chloride
- English name
- 4-(chlorosulphonyl)benzoyl chloride
- Molecular formula
- C7H4Cl2O3S
- Molecular weight
- 239.08
Names & synonyms
4-(chlorosulfonyl)benzoyl chloride7516-60-14-(Chlorosulphonyl)benzoyl chloride4-chlorosulfonylbenzoyl chloride4-(chlorosulfonyl)benzoylchloride4-Chlorosulfonyl-benzoyl chlorideEINECS 231-371-94-(chlorosulfonyl)benzoic acid chlorideBenzoyl chloride, 4-(chlorosulfonyl)-SCHEMBL351553LXH4T872Gp-Chlorosulfonylbenzoyl chloride
Show more names
DTXSID102261534-Chlorosulphonyl-benzoyl chlorideAKOS002682703Benzoyl chloride, p-(chlorosulfonyl)-AT54629NS00037684
Database identifiers
- CAS
7516-60-1- PubChem CID
- 82024
- DTXSID
DTXSID10226153- UNII
- 3LXH4T872G
- EC Number
- 231-371-9
- Nikkaji
- J307.856F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 53 · 53-57 °C
- Boiling point
- 335.1 · 335.1±25.0 °C(Predicted)
- Density
- 1.567 · 1.567±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
赛纳斯特化学（欢迎点击联系）021-60343070
Related reactions
20 records
Compound notes
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