3-Chloro-4-acetotoluidide

HCID 23537

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Basic information

CAS: 7149-79-3
Standard SMILES: CC(=O)Nc1ccc(C)c(Cl)c1
InChIKey: IGLVCWPPISIXPR-UHFFFAOYSA-N
Molecular formula: C9H10ClNO
Average molar mass: 183.63 g/mol
Monoisotopic mass: 183.04509162

Names & identifiers

Preferred name: 3-Chloro-4-acetotoluidide
IUPAC: N-(3-chloro-4-methylphenyl)acetamide
English name: 3-Chloro-4-methylacetanilide
Molecular formula: C9H10ClNO
Molecular weight: 183.63

Names & synonyms

N-(3-Chloro-4-methylphenyl)acetamide7149-79-33-Chloro-4-acetotoluidideo-Chloro-p-acetotoluidide4-(Acetylamino)-2-chlorotoluene3'-Chloro-p-acetotoluidideDRC-2698PRC-698Acetamide, N-(3-chloro-4-methylphenyl)-p-ACETOTOLUIDIDE, 3'-CHLORO-DTXSID8042181EINECS 230-483-5

Show more names

DRC 26983’-chloro-p-acetotoluidid3-CHLOROPARAACETOTOLUIDIDE3’-chloro-p-acetotoluidide3-Chloro-4-methylacetanilideN-Acetyl-3-chloro-4-methylaniline3-Chloro-4-methylacetanilide, 95+%N-(3-Chlor-4-methylphenyl)acetamidn-(3-chloro-4-methylphenyl)-acetamid

NSC 72333BRN 2691932X7X7S72D5RNSC-72333DTXCID60221812-12-00-00530 (Beilstein Handbook Reference)CHLORO-4-METHYLPHENYL)ACETAMIDE, N-(3-RefChem:499942

Database identifiers

CAS: 7149-79-3
PubChem CID: 23537
DTXSID: DTXSID8042181
ChEMBL: CHEMBL3186889
UNII: X7X7S72D5R
EC Number: 230-483-5
Nikkaji: J14.773G

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 172

Experimental & physicochemical properties

Collision Cross Section138.2 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8042181]

Physicochemical properties

Melting point: 105 · 105-107°C
Boiling point: 80 °C · 80°C (rough estimate)
Density: 1.218 · 1.218
refractive index: 1.533 · 1.5330 (estimate)
pka: 14.46 · 14.46±0.70(Predicted)
FDA UNII: 7 X7S72D5R · X7X7S72D5R
EPA Substance Registry System: N-(3-Chloro-4-methylphenyl)acetamide (7149-79-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 25 · 25
Safety Statements: 20 · 20-36-45-60
RIDADR: 2811 · 2811
RTECS: 3325000 · AN3325000
TSCA: TSCA listed
PackingGroup: III
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (88.4%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.