Basic information
- Standard SMILES
CC(=O)Nc1cccc(N)c1- InChIKey
PEMGGJDINLGTON-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931294
Overview
M-aminoacetanilide is a gray solid. (NTP, 1992)
Names & identifiers
- Preferred name
- m-Aminoacetanilide
- IUPAC
- N-(3-aminophenyl)acetamide
- English name
- N1-(3-Aminophenyl)acetamide
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
Show more names
Database identifiers
- CAS
102-28-3- PubChem CID
- 7604
- DTXSID
DTXSID2024454- ChEMBL
CHEMBL1606123- UNII
- Q5K7HYS7JJ
- EC Number
- 203-021-5
- Nikkaji
- J43.351I
Properties
Computed structural properties
- XLogP
- 0.9
- 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
- 147
Experimental & physicochemical properties
Physical Description
M-aminoacetanilide is a gray solid. (NTP, 1992)
Gray solid; [CAMEO] Light brown crystalline powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 86 · 86-88 °C(lit.)
- Boiling point
- 271.72 °C · 271.72°C (rough estimate)
- Density
- 1.1392 · 1.1392 (rough estimate)
- refractive index
- 1.618 · 1.6180 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- 14.82 · 14.82±0.70(Predicted)
- color
- White to Gray to Brown
- Water Solubility
- 1 · 1-5 g/100 mL at 24 ºC
- InChI
- InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11)
- InChIKey
- PEMGGJDINLGTON-UHFFFAOYSA-N
- SMILES
- C(NC1=CC=CC(N)=C1)(=O)C
- CAS DataBase Reference
- 102 · 102-28-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 K7HYS7JJ · Q5K7HYS7JJ
- EPA Substance Registry System
- 3 · 3'-Aminoacetanilide (102-28-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- 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 · 26-36-37/39
- WGK Germany
- 3 · 3
- RTECS
- 8050000 · AD8050000
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29214200 · 29214200
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 · mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02899,
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (21.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
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: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AD8050000
- hs_code
- 29214200
- Toxicity
- mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02899,
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- 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
Uses3'-Aminoacetanilide is mainly used as reaction intermediates dyes and disperse dyes.
General DescriptionGray solid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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