Basic information
- CAS
102294-59-7- Standard SMILES
CS(=O)(=O)Nc1ccc(I)cc1- InChIKey
SREMDYGUGILBIV-UHFFFAOYSA-N- Molecular formula
- C7H8INO2S
- Average molar mass
- 297.12 g/mol
- Monoisotopic mass
- 296.9320475
Names & identifiers
- Preferred name
- N-(4-iodophenyl)methanesulfonamide
- IUPAC
- N-(4-iodophenyl)methanesulfonamide
- English name
- N-(4-iodophenyl)methanesulfonamide
- Molecular formula
- C7H8INO2S
- Molecular weight
- 297.11
Names & synonyms
N-(4-iodophenyl)methanesulfonamide102294-59-7DTXSID50356887RefChem:362047DTXCID60307946852-896-5Methanesulfonamide, N-(4-iodophenyl)-N-(4-iodophenyl)methanesulphonamideOprea1_254281SCHEMBL478898SREMDYGUGILBIV-UHFFFAOYSA-N(4-iodophenyl)(methylsulfonyl)amine
Show more names
n-(4-iodophenyl)-methanesulfonamideMFCD00584920N-(4-iodophenyl) methanesulphonamideSTL137342N-(4-Iodo-phenyl)-methanesulfonamideAKOS000383784DB-221373CS-0250429
Database identifiers
- CAS
102294-59-7- PubChem CID
- 836147
- DTXSID
DTXSID50356887- EC Number
- 852-896-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 350.6 · 350.6±44.0 °C(Predicted)
- Density
- 1.954 · 1.954±0.06 g/cm3(Predicted)
- pka
- 7.65 · 7.65±0.10(Predicted)
- InChI
- InChI=1S/C7H8INO2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
- InChIKey
- SREMDYGUGILBIV-UHFFFAOYSA-N
- SMILES
- CS(NC1=CC=C(I)C=C1)(=O)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers5 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
兰州安杰利生物化学科技有限公司0931-8235634 13321316780
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
南京古田化工有限公司18651817751 · [email protected]
Related reactions
13 records
Compound notes
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