1h-indole-5-sulfonic acid, 2-phenyl-, monosodium salt

HCID 24802465

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Basic information

CAS: 119205-39-9
Standard SMILES: O=S(=O)([O-])c1ccc2[nH]c(-c3ccccc3)cc2c1.[Na+]
InChIKey: OZUOUVQBVVZVRG-UHFFFAOYSA-M
Molecular formula: C14H10NNaO3S
Average molar mass: 295.29 g/mol
Monoisotopic mass: 295.02790864

Names & identifiers

Preferred name: 1h-indole-5-sulfonic acid, 2-phenyl-, monosodium salt
IUPAC: sodium 2-phenyl-1H-indole-5-sulfonate
English name: Sodium 2-phenylindole-5-sulfonate
Molecular formula: C14H10NNaO3S
Molecular weight: 295.29

Names & synonyms

1H-Indole-5-sulfonic acid, 2-phenyl-, monosodium saltDTXSID5073080RefChem:239169DTXCID7033496119205-39-9sodium 2-phenyl-1H-indole-5-sulfonateSodium 2-phenylindole-5-sulfonatesodium;2-phenyl-1H-indole-5-sulfonateMFCD049721001H-Indole-5-sulfonic acid, 2-phenyl-, sodium salt (1:1)2-Phenylindole-5-sulfonic acid monosodium saltC14H10NNaO3S

Show more names

2-Phenyl-Indol-5-Sulfonic Acid2-Phenyl-1H-indole-5-sulfonic acid2-Phenylindole-5-sulfonic acid Na salt2-phenylindole-5-sulfonicacidsodiumsalt2-Phenyl-indol-5-sulfonic acid sodium salt2-phenyl-1h-indole-5-sulfonicacimonosodiumsalt2-phenyl-1H-Indole-5-sulfonic acid sodium salt

2-Phenylindol-5-sulfonic acid,sodium saltSCHEMBL27915152OZUOUVQBVVZVRG-UHFFFAOYSA-MAKOS015899466sodium2-phenyl-1H-indole-5-sulfonateDS-2765FP522212-Phenylindole-5-sulphonic acid sodium salt

Database identifiers

CAS: 119205-39-9
PubChem CID: 24802465
DTXSID: DTXSID5073080

Properties

Computed structural properties

Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 417

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C14H11NO3S.Na/c16-19(17,18)12-6-7-13-11(8-12)9-14(15-13)10-4-2-1-3-5-10;/h1-9,15H,(H,16,17,18);/q;+1/p-1
InChIKey: OZUOUVQBVVZVRG-UHFFFAOYSA-M
SMILES: S(=O)(=O)([O-])C1C=CC2=C(C=1)C=C(N2)C1C=CC=CC=1.[Na+]
CAS DataBase Reference: 119205 · 119205-39-9(CAS DataBase Reference)
EPA Substance Registry System: 1 H-Indole-5-sulfonic · 1H-Indole-5-sulfonic acid, 2-phenyl-, monosodium salt (119205-39-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1H-Indole-5-sulfonic acid, 2-phenyl-, sodium salt (1:1): ACTIVE

Suppliers69 total

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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