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CAS No.: | 96-30-0 |
---|---|
Name: | 2-Chloro-N-methylacetamide |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C3H6 Cl N O |
Molecular Weight: | 107.54 |
Synonyms: | 2-Chloro-N-methylacetamide;N-Methyl-2-chloroacetamide;N-Methylchloroacetamide;NSC 1725;a-Chloro-N-methylacetamide; |
EINECS: | 202-497-1 |
Density: | 1.127 g/cm3 |
Melting Point: | 38-40°C |
Boiling Point: | 112-115°C 20mm |
Flash Point: | 110 °C |
Appearance: | brown or black |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 29.10000 |
LogP: | 0.36210 |
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Product Name: 2-Chloro-N-methylacetamide (CAS NO.96-30-0)
Molecular Formula: C3H6ClNO
Molecular Weight: 107.54g/mol
Mol File: 96-30-0.mol
EINECS: 202-497-1
Melting Point: 38-40°C
Boiling point: 258.3 °C at 760 mmHg
Flash Point: 110 °C
Density: 1.127 g/cm3
Surface Tension: 29.8 dyne/cm
Enthalpy of Vaporization: 49.59 kJ/mol
Vapour Pressure: 0.0138 mmHg at 25°C
XLogP3-AA: 0.2
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of 2-Chloro-N-methylacetamide (CAS NO.96-30-0):
IUPAC Name: 2-chloro-N-methylacetamide
Canonical SMILES: CNC(=O)CCl
InChI: InChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)
InChIKey: HOZLOOPIXHWKCI-UHFFFAOYSA-N
Product Categories: Acids and Derivatives
2-Chloro-N-methylacetamide is an intermediate used to prepare piperidinylamino pyrrolopyrimidines as selective Janus kinase inhibitors for the treatment of autoimmune diseases and organ transplant rejection.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | National Technical Information Service. Vol. AD277-689, |
Safety Information of 2-Chloro-N-methylacetamide (CAS NO.96-30-0):
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 26-36/37/39
HazardClass: IRRITANT
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
38: In case of insufficient ventilation, wear suitable respiratory equipment
39: Wear eye/face protection
2-Chloro-N-methylacetamide , its CAS NO. is 96-30-0, the synonyms are 4-04-00-00179 (Beilstein Handbook Reference) ; BRN 1740634 ; EINECS 202-497-1 ; N-Methyl-2-chloroacetamide ; N-Methylchloroacetamide ; NSC 1725 ; USAF DO-35 ; alpha-Chloro-N-methylacetamide ; Acetamide, 2-chloro-N-methyl- .
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
R36/37/38:Irritating to eyes, respiratory system and skin.