Basic information
- CAS
122-80-5- Standard SMILES
CC(=O)Nc1ccc(N)cc1- InChIKey
CHMBIJAOCISYEW-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931294
Overview
P-aminoacetanilide appears as white or slightly reddish solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 4-Aminoacetanilide
- IUPAC
- N-(4-aminophenyl)acetamide
- English name
- 4'-Aminoacetanilide
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
Show more names
Database identifiers
- CAS
122-80-5- PubChem CID
- 31230
- DTXSID
DTXSID7024455- ChEMBL
CHEMBL1318876- ChEBI
CHEBI:229632- UNII
- IH5OX0I3Z9
- EC Number
- 204-576-6
- Nikkaji
- J43.352G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
Physical Description
P-aminoacetanilide appears as white or slightly reddish solid. (NTP, 1992)
White or slightly reddish solid; Darkened by air; [Merck Index] Brown solid; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 164 · 164-167 °C(lit.)
- Boiling point
- 267 °C · 267 °C
- Density
- 1.1392 · 1.1392 (rough estimate)
- refractive index
- 1.618 · 1.6180 (estimate)
- Flash point
- 195 °C · 195°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 65 g/l · 65g/l slightly soluble
- form
- Fine Crystalline Powder
- pka
- 14.75 · 14.75±0.70(Predicted)
- Colour Index
- 76005 · 76005
- color
- Pink to brown
- PH
- 7.2 · 7.2 (1g/l, H2O, 20℃)
- Water Solubility
- 0.1 · 0.1-1 g/100 mL at 25 ºC
- Sensitive
- Air Sensitive
- Merck
- 14 · 14,411
- BRN
- 742888 · 742888
- InChI
- 1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
- InChIKey
- CHMBIJAOCISYEW-UHFFFAOYSA-N
- SMILES
- CC(=O)Nc1ccc(N)cc1
- CAS DataBase Reference
- 122 · 122-80-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 OX0I3Z9 · IH5OX0I3Z9
- NIST Chemistry Reference
- Acetamide, N-(4-aminophenyl)-(122-80-5)
- EPA Substance Registry System
- 4 · 4'-Aminoacetanilide (122-80-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 303 · H303-H319-H317-H334-H341
- Precautionary statements
- 501 · P501-P261-P272-P202-P201-P264-P280-P284-P302+P352-P342+P311-P337+P313-P305+P351+P338-P362+P364-P304+P340-P333+P313-P405
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 36 · 36-42/43-20/21/22-R36
- Safety Statements
- 22 · 22-26-36/37-39-36-S39-S26
- WGK Germany
- 1 · 1
- RTECS
- 8225000 · AD8225000
- F
- 8 · 8-9-23
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29242995 · 29242995
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Eye Irrit. 2
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.5% (8 of 179) of reports.
Danger
H317 (88.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P333+P317, P337+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 179 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Acetamide, N-(4-aminophenyl)-
Acetamide, N-(4-aminophenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetamide, N-(4-aminophenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 22-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23567
Reactivity Profile
Aromatic amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Safety data
- F
- 8-9-23
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- AD8225000
- hs_code
- 29242995
- risk_code
- 36-42/43-20/21/22-R36
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- Xn,Xi
- safety_code
- 22-26-36/37-39-36-S39-S26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H303-H319-H317-H334-H341
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P501-P261-P272-P202-P201-P264-P280-P284-P302+P352-P342+P311-P337+P313-P305+P351+P338-P362+P364-P304+P340-P333+P313-P405
Chemistry & industry
Uses & manufacturing
Applications
UsesIntermediate in the manufacture of azo dyes, pharmaceuticals.
General DescriptionWhite or slightly reddish solid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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