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[(4-Methoxybenzene-1-sulfonyl)amino](phenyl)acetic acid

HCID 500044
NotesReactions

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

CAS
117309-46-3
Standard SMILES
COc1ccc(S(=O)(=O)NC(C(=O)O)c2ccccc2)cc1
InChIKey
AFNBBRUKSKERPY-UHFFFAOYSA-N
Molecular formula
C15H15NO5S
Average molar mass
321.354 g/mol
Monoisotopic mass
321.06709358

Names & identifiers

Preferred name
[(4-Methoxybenzene-1-sulfonyl)amino](phenyl)acetic acid
IUPAC
[(4-Methoxybenzene-1-sulfonyl)amino](phenyl)acetic acid
English name
2-([(4-Methoxyphenyl)sulfonyl]amino)-2-phenylacetic acid
Molecular formula
C15H15NO5S
Molecular weight
321.35

Names & synonyms

2-(4-MethoxyphenylsulfonaMido)-2-phenylacetic acid(S)-2-(4-methoxyphenylsulfonamido)-2-phenylacetic acid2-([(4-Methoxyphenyl)sulfonyl]amino)-2-phenylacetic acidBenzeneacetic acid, α-[[(4-methoxyphenyl)sulfonyl]amino]-, (S)- (9CI)

Database identifiers

CAS
117309-46-3
PubChem CID
500044
DTXSID
DTXSID20333327

Properties

Physicochemical properties

Melting point
171 · 171-173°C
Boiling point
523.94 · 523.940±60.00 °C(Press: 760.00 Torr)(predicted)
Density
1.358 · 1.358±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka
2.872 · 2.872±0.10(predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338
HazardClass
IRRITANT

Safety & regulation

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

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers10 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛纳斯特化学(欢迎点击联系)021-60343070
上海源叶生物科技有限公司18916372613 · [email protected]
Aladdin Scientific[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

1 records
New reaction record
HRID 1116252 reaction equation
HRID 1116252As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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