Basic information
- CAS
61953-04-6- Standard SMILES
O=C(O)c1ccc(S(=O)(=O)Cl)cc1Cl- InChIKey
XYJQBDLJABAHGK-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2O4S
- Average molar mass
- 255.07 g/mol
- Monoisotopic mass
- 253.9207352
Names & identifiers
- Preferred name
- 2-Chloro-4-(chlorosulfonyl)benzoic acid
- IUPAC
- 2-chloro-4-chlorosulfonylbenzoic acid
- English name
- 2-chloro-4-(chlorosulfonyl)benzoic acid
- Molecular formula
- C7H4Cl2O4S
- Molecular weight
- 255.08
Names & synonyms
2-chloro-4-(chlorosulfonyl)benzoic acid61953-04-6DTXSID90977494RefChem:468880DTXCID701404844970-008-52-chloro-4-chlorosulfonylbenzoic acidBenzoic acid, 2-chloro-4-(chlorosulfonyl)-SCHEMBL9516048XYJQBDLJABAHGK-UHFFFAOYSA-NGS3177MFCD20731107
Show more names
2-chloro-4-(chlorosulfonyl)benzoicacidDA-26612SY194579CS-0264646EN300-93659
Database identifiers
- CAS
61953-04-6- PubChem CID
- 188427
- DTXSID
DTXSID90977494- EC Number
- 970-008-5
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 141 °C · 141 °C
- Boiling point
- 404.2 · 404.2±35.0 °C(Predicted)
- Density
- 1.694 · 1.694±0.06 g/cm3(Predicted)
- pka
- 1.57 · 1.57±0.25(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 280 · P280-P310-P305+P351+P338
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]；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
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H314
- Precautionary statements
- P280-P310-P305+P351+P338
Chemistry & industry
Suppliers3 total
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
Related reactions
6 records
Compound notes
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