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N-(1-Phenylethyl)benzenesulfonamide

HCID 99969
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1146-47-0
Standard SMILES
CC(NS(=O)(=O)c1ccccc1)c1ccccc1
InChIKey
WFKSWLOBWYMBJK-UHFFFAOYSA-N
Molecular formula
C14H15NO2S
Average molar mass
261.34 g/mol
Monoisotopic mass
261.08234989

Names & identifiers

Preferred name
N-(1-Phenylethyl)benzenesulfonamide
IUPAC
N-(1-phenylethyl)benzenesulfonamide
English name
N-(1-Phenylethyl)benzenesulfonaMide, 97%
Molecular formula
C14H15NO2S
Molecular weight
261.34

Names & synonyms

N-(1-Phenylethyl)benzenesulfonamide1146-47-0Benzenesulfonamide, N-(1-phenylethyl)-N-(1-Phenylethyl)benzenesulfonaMide, 97per centNSC296509NSC 296509Cambridge id 5121957Oprea1_334752Oprea1_522200CBDivE_001901CBDivE_002647SCHEMBL3759433
Show more names
N-(1-Phenylethyl)benzenesulfonaMide, 97%
(phenylethyl)(phenylsulfonyl)amineHMS1579O06AKOS001064870AKOS016324555NSC-296509ST50560564N-(1-PHENYL-ETHYL)-BENZENESULFONAMIDESR-01000196992

Database identifiers

CAS
1146-47-0
PubChem CID
99969
EC Number
152-262-1
Nikkaji
J2.405.898K

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
54.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
335

Physicochemical properties

Melting point
105.5 °C · 105.5 °C
Boiling point
407.9 · 407.9±38.0 °C(Predicted)
Density
1.198 · 1.198±0.06 g/cm3(Predicted)
pka
11.4 · 11.40±0.40(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P302+P352-P304+P340-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 · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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
H302-H315-H319-H335
Precautionary statements
P261-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Suppliers3 total

阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes