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Basic information
- CAS
46376-16-3- Standard SMILES
CN(CC(=O)O)S(=O)(=O)c1ccccc1- InChIKey
XQGWHYCLQRSQSQ-UHFFFAOYSA-N- Molecular formula
- C9H11NO4S
- Average molar mass
- 229.26 g/mol
- Monoisotopic mass
- 229.04087901
Names & identifiers
- Preferred name
- N-(phenylsulfonyl)sarcosine
- IUPAC
- 2-[benzenesulfonyl(methyl)amino]acetic acid
- English name
- Phenylsulfonyl-Sar-OH
- Molecular formula
- C9H11NO4S
- Molecular weight
- 229.25
Names & synonyms
n-(phenylsulfonyl)sarcosineRefChem:66387146376-16-3PHENYLSULFONYL-SAR-OHN-Phenylsulfonyl-SarcosineN-METHYL-N-(PHENYLSULFONYL)GLYCINE2-[benzenesulfonyl(methyl)amino]acetic acid2-(N-methylbenzenesulfonamido)acetic acidGlycine, N-methyl-N-(phenylsulfonyl)-MFCD00031398PHENYLSULFONYL-N-ME-GLY-OH2-(N-Methylphenylsulfonamido)acetic acid
Show more names
PHSOASISCHEM U72623Phenylsulfonyl-Aar-OHN-PHENYLSULFONYL-SAR-OHPHENYLSULFONYL-SARCOSINEN-PHENYLSULFONYL-N-METHYLGLYCINE
2-[methyl(phenylsulfonyl)amino]acetic acid[methyl(phenylsulfonyl)amino]acetic acidN-Benzenesulfonyl-sarcosineN-(phenylsulfonyl)-sarcosineAO-080/40711745SCHEMBL2334379SCHEMBL7849396SCHEMBL14855030
Database identifiers
- CAS
46376-16-3- PubChem CID
- 4379
- DTXSID
DTXSID50196821- EC Number
- 839-943-5
- Nikkaji
- J420.287B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 179.5 · 179.5-180.5 °C
- Boiling point
- 415.974 · 415.974±47.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.484 · 3.484±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesN-Phenylsulfonyl-Sarcosine is an organic contaminant in groundwater samples from sewage farm, river and drinking water.
Suppliers13 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳市奇美克生物科技有限公司13692196024 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
重庆卡兰医药有限公司[email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Related reactions
2 records
Compound notes
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