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| CAS No.: | 16634-82-5 |
|---|---|
| Name: | 2-CHLORO-N-(4-METHYLPHENYL)ACETAMIDE |
| Molecular Structure: | |
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|
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| Formula: | C9H10 Cl N O |
| Molecular Weight: | 183.637 |
| Synonyms: | p-Acetotoluidide,2-chloro- (6CI,7CI,8CI); 2-Chloro-4'-acetotoluidide;2-Chloro-4'-methylacetanilide; 2-Chloro-N-(4-methylphenyl)acetamide;2-Chloro-N-(methylphenyl)acetamide; 2-Chloro-N-p-tolylacetamide;2-Chloroaceto-p-toluidide; 4'-Methyl-2-chloroacetanilide; 4'-Methyl-a-chloroacetanilide;N-(4-Methylphenyl)chloroacetamide; N-(Chloroacetyl)-p-toluidine;N-Chloroacetyl-4-methylaniline; NSC 8372; p-Methylchloroacetanilide; a-Chloro-p-methylacetanilide |
| Density: | 1.222 g/cm3 |
| Melting Point: | 164-166 |
| Boiling Point: | 342.3 °C at 760 mmHg |
| Flash Point: | 160.8 °C |
| Hazard Symbols: |
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| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| Safety: | Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx. |
| PSA: | 29.10000 |
| LogP: | 2.24530 |
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Chemistry
Molecular Structure of 2-Chloro-4-acetotoluidine (CAS NO.16634-82-5):
IUPAC Name: 2-Chloro-N-(4-methylphenyl)acetamide
Molecular Formula: C9H10ClNO
Molecular Weight: 183.634800 g/mol
XLogP3: 2
H-Bond Donor: 1
H-Bond Acceptor: 1
Canonical SMILES: CC1=CC=C(C=C1)NC(=O)CCl
InChI: InChI=1S/C9H10ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey: CITIOELQTFSEGI-UHFFFAOYSA-N
Index of Refraction: 1.583
Molar Refractivity: 50.19 cm3
Molar Volume: 150.1 cm3
Surface Tension: 44.1 dyne/cm
Density: 1.222 g/cm3
Flash Point: 160.8 °C
Enthalpy of Vaporization: 58.61 kJ/mol
Boiling Point: 342.3 °C at 760 mmHg
Vapour Pressure: 7.58E-05 mmHg at 25 °C
Melting Point: 164-166 °C
Water Solubility: 662.2 mg/L at 25 °C
BRN: 0638223
Toxicity Data With Reference
| 1. | orl-rat LDLo:2740 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 18 (1971),517. | ||
| 2. | ipr-rat LD50:452 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 18 (1971),517. | ||
| 3. | ivn-rat LD50:60 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 18 (1971),517. | ||
| 4. | ivn-mus LD50:320 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#02137 . |
Safety Profile
Safety Information of 2-Chloro-4-acetotoluidine (CAS NO.16634-82-5):
Hazard Codes: Xi 
Hazard Note: Irritant
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
Specification
2-Chloro-4-acetotoluidine with CAS registry number of 16634-82-5 is also known as 2-Chloro-4'-methylacetanilide ; 2-Chloro-4-acetotoluidide ; 2-Chloro-N-(p-tolyl)acetamide ; 2-Chloro-p-acetotoluidide ; 2-Chloroaceto-p-toluidide ; 4-12-00-01903 (Beilstein Handbook Reference) ; 4-Methyl-alpha-chloroacetanilide ; AI3-23536 ; Acetamide, 2-chloro-N-(4-methylphenyl)- ; Acetamide, 2-chloro-N-(p-tolyl)- ; N-(Chloroacetyl)-p-toluidine ; N-(p-Tolyl)-alpha-chloroacetamide ; NSC 8372 ; p-Acetotoluidide, 2-chloro- ; p-Methylchloroacetanilide ; p-Toluene chloromethylamide .