Basic information
- CAS
17194-82-0- Standard SMILES
NC(=O)Cc1ccc(O)cc1- InChIKey
YBPAYPRLUDCSEY-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Overview
2-(4-Hydroxyphenyl)acetamide is a member of acetamides.
Names & identifiers
- Preferred name
- (4-Hydroxyphenyl)acetamide
- IUPAC
- 2-(4-hydroxyphenyl)acetamide
- English name
- 4-Hydroxyphenylacetamide
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
Show more names
Database identifiers
- CAS
17194-82-0- PubChem CID
- 86986
- DTXSID
DTXSID4066171- ChEMBL
CHEMBL447310- ChEBI
CHEBI:194828- UNII
- 0HY0N4ITN4
- EC Number
- 241-235-0
- Nikkaji
- J42.257F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 176 · 176-178 °C (lit.)
- Boiling point
- 273.17 °C · 273.17°C (rough estimate)
- Density
- 1.2023 · 1.2023 (rough estimate)
- refractive index
- 1.581 · 1.5810 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 9.99 · 9.99±0.26(Predicted)
- form
- Fine Crystalline Powder
- color
- Beige
- Water Solubility
- soluble
- BRN
- 2085984 · 2085984
- InChI
- 1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
- InChIKey
- YBPAYPRLUDCSEY-UHFFFAOYSA-N
- SMILES
- NC(=O)Cc1ccc(O)cc1
- CAS DataBase Reference
- 17194 · 17194-82-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 HY0N4ITN4 · 0HY0N4ITN4
- NIST Chemistry Reference
- 4 · 4-Hydroxyphenylacetamide(17194-82-0)
- EPA Substance Registry System
- 4 · Benzeneacetamide, 4-hydroxy- (17194-82-0)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-24/25-37/39
- WGK Germany
- 3 · 3
- RTECS
- 3851500 · AC3851500
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29242990 · 29242990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (94.2%): Causes skin irritation [Warning Skin corrosion/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 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 19-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22972
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AC3851500
- hs_code
- 29242990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36-24/25-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses4-(Hydroxyphenyl)acetamide is used as an intermediate for the synthesis of Atenolol (A790075) and various other organic compounds and pharmaceuticals. It is a process impurity for Atenolol (A790075)
Uses4-(Hydroxyphenyl)acetamide (Atenolol EP Impurity A) is used as an intermediate for the synthesis of Atenolol (A790075) and various other organic compounds and pharmaceuticals. It is a process impurity for Atenolol (A790075)
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Additional notes
DefinitionChEBI: 2-(4-Hydroxyphenyl)acetamide is a member of acetamides.
Related reactions
Compound notes
Loading…