Basic information
- CAS
935447-39-5- Standard SMILES
O=S([O-])c1cccc(F)c1.[Na+]- InChIKey
MMBZZYQYBHPSST-UHFFFAOYSA-M- Molecular formula
- C6H4FNaO2S
- Average molar mass
- 182.15 g/mol
- Monoisotopic mass
- 181.98137298
Names & identifiers
- Preferred name
- Sodium 3-fluorobenzene-1-sulfinate
- IUPAC
- sodium 3-fluorobenzenesulfinate
- English name
- sodium 3-fluorobenzenesulfinate
- Molecular formula
- C6H6FNaO2S
- Molecular weight
- 184.16
Names & synonyms
935447-39-5sodium 3-fluorobenzene-1-sulfinateRefChem:887012831-336-3Sodium 3-fluorobenzenesulfinatesodium;3-fluorobenzenesulfinate3-Fluorobenzenesulfinic acid sodium saltMFCD11618051Sodium3-fluorobenzenesulfinateSCHEMBL1584057Sodium 3-fluoro-benzenesulfinateMMBZZYQYBHPSST-UHFFFAOYSA-M
Show more names
3-FLUORO-BENZENESULFINATE SODIUMBenzenesulfinic acid, 3-fluoro-, sodium salt (1:1)
KMB44739AKOS006318946SY378528EN300-181866
Database identifiers
- CAS
935447-39-5- PubChem CID
- 23717246
- EC Number
- 831-336-3
Properties
Computed structural properties
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H312-H318-H315-H332-H302
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-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]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H312-H318-H315-H332-H302
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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