Basic information
- CAS
445-06-7- Standard SMILES
Cc1ccc(N)cc1S(=O)(=O)F- InChIKey
HHNBKGKQPAGUFL-UHFFFAOYSA-N- Molecular formula
- C7H8FNO2S
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.02597783
Names & identifiers
- Preferred name
- 5-Amino-2-methylbenzene-1-sulfonyl fluoride
- IUPAC
- 5-amino-2-methylbenzenesulfonyl fluoride
- English name
- Benzenesulfonyl fluoride, 5-amino-2-methyl-
- Molecular formula
- C7H8FNO2S
- Molecular weight
- 189.2073232
Names & synonyms
5-Amino-2-methylbenzene-1-sulfonyl fluoride445-06-7DTXSID40299916RefChem:300980DTXCID602510515-amino-2-methylbenzenesulfonyl fluorideMFCD20693536NSC133677Benzenesulfonyl fluoride, 5-amino-2-methyl-SCHEMBL29452128AAA44506AKOS037656052
Show more names
NSC-133677VS-0056NCGC00664751-015-azanyl-2-methyl-benzenesulfonyl fluoride5-Amino-2-methylbenzene-1-sulfonylfluorideE84438EN300-305707F852220
Database identifiers
- CAS
445-06-7- PubChem CID
- 281131
- DTXSID
DTXSID40299916- EC Number
- 981-127-7
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-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
- H302-H314
- Precautionary statements
- P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Chemistry & industry
Suppliers4 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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