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Basic information
- CAS
10463-20-4- Standard SMILES
O=C(O)Cc1ccc(O)c([N+](=O)[O-])c1- InChIKey
QBHBHOSRLDPIHG-UHFFFAOYSA-N- Molecular formula
- C8H7NO5
- Average molar mass
- 197.14 g/mol
- Monoisotopic mass
- 197.03242232
Names & identifiers
- Preferred name
- 4-Hydroxy-3-nitrophenylacetic acid
- IUPAC
- 2-(4-hydroxy-3-nitrophenyl)acetic acid
Names & synonyms
4-Hydroxy-3-nitrophenylacetic acid2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID(4-hydroxy-3-nitrophenyl)acetic acidCHEBI:546274NO2HPARefChem:523850233-948-010463-20-4MFCD00007122Benzeneacetic acid, 4-hydroxy-3-nitro-3-Nitro-4-hydroxy phenylacetic acid4-hydroxy-3-nitrobenzeneacetic acid
Show more names
Epitope ID:158629SCHEMBL231627CHEMBL501822orb1227068orb1307674SCHEMBL2710180HMS3604M073-nitro 4-hydroxyphenyl acetic acid
Database identifiers
- CAS
10463-20-4- PubChem CID
- 447364
- ChEMBL
CHEMBL501822- ChEBI
CHEBI:546274- EC Number
- 233-948-0
- Nikkaji
- J212.405J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
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 (97.8%): 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)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)
Chemistry & industry
Suppliers97 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
22 records
Compound notes
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