Benzenesulfono-o-toluidide

HCID 87657
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Basic information

CAS
18457-86-8
Standard SMILES
Cc1ccccc1NS(=O)(=O)c1ccccc1
InChIKey
BIZZAMCVUWYVCZ-UHFFFAOYSA-N
Molecular formula
C13H13NO2S
Average molar mass
247.31 g/mol
Monoisotopic mass
247.06669966

Names & identifiers

Preferred name
Benzenesulfono-o-toluidide
IUPAC
N-(2-methylphenyl)benzenesulfonamide
English name
N-(o-tolyl)benzenesulphonamide
Molecular formula
C13H13NO2S
Molecular weight
247.31

Names & synonyms

N-(2-methylphenyl)benzenesulfonamide18457-86-8Benzenesulfono-o-toluidideN-o-Tolylbenzenesulfonamide2'-Methylbenzenesulfonanilideo-BenzenesulfonotoluidideBenzenesulfonamide, N-(2-methylphenyl)-EINECS 242-343-0BRN 2696439AK3832XAM3NSC-48376DTXSID90171591
Show more names
4-12-00-01783 (Beilstein Handbook Reference)NSC 48376N-(O-METHYLPHENYL)BENZENESULFONAMIDERefChem:118091DTXCID9094082242-343-0N-(o-Tolyl)benzenesulphonamideN-(O-TOLYL)BENZENESULFONAMIDE

Database identifiers

CAS
18457-86-8
PubChem CID
87657
DTXSID
DTXSID90171591
UNII
AK3832XAM3
EC Number
242-343-0
Nikkaji
J62.924C

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
54.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

Physicochemical properties

Melting point
120 · 120-122 °C
Boiling point
387.7 · 387.7±35.0 °C(Predicted)
Density
1.269 · 1.269±0.06 g/cm3(Predicted)
pka
8.76 · 8.76±0.10(Predicted)
EWG's Food Scores
1 · 1
FDA UNII
3832 XAM3 · AK3832XAM3

Safety & regulation

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)

Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Suppliers7 total

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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