Basic information
- CAS
10098-39-2- Standard SMILES
O=C(O)C(O)c1ccc([N+](=O)[O-])cc1- InChIKey
ZSMJZVLXJDNZHG-UHFFFAOYSA-N- Molecular formula
- C8H7NO5
- Average molar mass
- 197.14 g/mol
- Monoisotopic mass
- 197.03242232
Overview
structure in first source
Names & identifiers
- Preferred name
- p-Nitromandelic acid
- IUPAC
- 2-hydroxy-2-(4-nitrophenyl)acetic acid
- English name
- 4-nitrophenylglycolic acid
- Molecular formula
- C8H7NO5
- Molecular weight
- 197.14
Names & synonyms
p-nitromandelic acidRefChem:9284652-hydroxy-2-(4-nitrophenyl)acetic acid10098-39-24-Nitrophenylglycolic acidMFCD04971202Benzeneacetic acid, alpha-hydroxy-4-nitro-hydroxy{4-nitrophenyl}acetic acidEINECS 233-233-34-nitromandelic acidp-nitro-mandelic acidalpha-Hydroxy-4-nitrobenzeneacetic acid
Show more names
α-Hydroxy-4-nitrobenzeneacetic acidHYDROXY-(4-NITRO-PHENYL)-ACETIC ACIDBenzeneacetic acid, α-hydroxy-4-nitro-
Benzeneacetic acid, a-hydroxy-4-nitro-(R)-4-NitromandelicSCHEMBL3749117Hydroxy(4-nitrophenyl)acetic acid #NSC126600SBB092113AKOS022172861(2R)-hydroxy(4-nitrophenyl)aceticacid
Database identifiers
- CAS
10098-39-2- PubChem CID
- 98422
- EC Number
- 233-233-3
- Nikkaji
- J241.264K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 93 · 93-94 °C
- Boiling point
- 436.4 · 436.4±35.0 °C(Predicted)
- Density
- 1.552 · 1.552±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.81 · 2.81±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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 statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers19 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
常州平博医药研发有限公司086-0519-83990708 18915800124 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
无锡迈默拓普生物科技有限公司15061806929 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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