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m-Aminoacetanilide

HCID 7604
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
102-28-3
Standard SMILES
CC(=O)Nc1cccc(N)c1
InChIKey
PEMGGJDINLGTON-UHFFFAOYSA-N
Molecular formula
C8H10N2O
Average molar mass
150.18 g/mol
Monoisotopic mass
150.07931295

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

N-(3-Aminophenyl)acetamide102-28-33'-AminoacetanilideM-AMINOACETANILIDE3-AcetamidoanilineAcetamide, N-(3-aminophenyl)-M-Acetaminoanilinem-(Acetylamino)anilineN-Acetyl-m-phenylenediamine3-Amino-N-acetylaniline3-Aminoacetanilid3-Acetylaminoaniline
Show more names
META AMINO ACETANILIDE3-AMINOACETANILIDEFR-2203AKOS BB-8162WLN: ZR CMV13-AcetamidoaniLASISCHEM B52481
Acetanilide, 3'-amino-1-Amino-3-(acetylamino)benzene3-Aminoacetanilid [Czech]3-(Acetylamino)anilinem-AcetamidoanilineN-Acetyl-m-fenylendiaminCCRIS 4574NSC 165576

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

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Solubility10 to 50 mg/mL at 75 °F (NTP, 1992)
Boiling PointDecomposes at 1449 °F (NTP, 1992)
Melting Point187.7 to 189.5 °F (NTP, 1992)
Physical Description · 2 items

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)

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 · 4 items

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

Regulatory InformationREACH registered substance: 3'-aminoacetanilide (EC: 203-021-5)
Fire HazardsFlash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Hazards SummaryA mild eye irritant; [RTECS] An irritant; [Acros Organics MSDS] See Acetanilide.
Reactive GroupAmides and Imides
Reactivity Profile · 1 item

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.

Chemistry & industry

Uses & manufacturing

UsesUsed in organic synthesis; [NTP]
General Manufacturing InformationAcetamide, N-(3-aminophenyl)-: ACTIVE

Applications

Uses3'-Aminoacetanilide is mainly used as reaction intermediates dyes and disperse dyes.

General DescriptionGray solid.

Upstream & downstream products

Upstream raw materials

CALCIUM SULFIDEm-PhenylenediamineAcetic acid3-NitroanilineEthanone, 1-(3-aminophenyl)-, oxime (9CI)3'-Nitroacetanilide3'-Aminoacetanilide hydrochlorideOPD EASY-tabletsp-PhenylenediamineEthyl acetateSodium acetate3'-Chloroacetanilide4'-NitroacetanilideAcetic anhydride

Related reactions

105 records
New reaction record
HRID 673 reaction equation
HRID 673As reactant750 AstraZeneca ELN dataset
HRID 24808 reaction equation
HRID 24808As reactantuspto-grants-2005_02
HRID 75653 reaction equation
HRID 75653As reactantuspto-grants-2014_09
HRID 75662 reaction equation
HRID 75662As reactantuspto-grants-2014_09
HRID 75676 reaction equation
HRID 75676As reactantuspto-grants-2014_09
HRID 76987 reaction equation
HRID 76987As reactantuspto-grants-2014_09
HRID 90176 reaction equation
HRID 90176As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 93152 reaction equation
HRID 93152As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
More actions
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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
Air and Water Reactions
Soluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (21.1%)

Safety & protection

Fire FightingFires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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 · 1 item

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) · 1 item

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

Downstream products

Acid Blue BGLReactive Golden Yellow KM-Gtrisodium 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,5-trisulphonateReactive Yellow 3Reactive Yellow KE-RN3,6-diamino-9(10)-acridone3-ACETAMIDOPHENOLAnilineC.I. Acid Red 23, disodium salt2,7-Naphthalenedisulfonic acid, 3-[(4-aminophenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, disodium salt