Basic information
- CAS
2675-89-0- Standard SMILES
CN(C)C(=O)CCl- InChIKey
XBPPLECAZBTMMK-UHFFFAOYSA-N- Molecular formula
- C4H8ClNO
- Average molar mass
- 121.56 g/mol
- Monoisotopic mass
- 121.02944156
Names & identifiers
- Preferred name
- 2-chloro-N,N-dimethylacetamide
- IUPAC
- 2-chloro-N,N-dimethylacetamide
- English name
- 2-Chloro-N,N-dimethylacetamide
- Molecular formula
- C4H8ClNO
- Molecular weight
- 121.57
Names & synonyms
Show more names
Database identifiers
- CAS
2675-89-0- PubChem CID
- 75886
- DTXSID
DTXSID50181257- UNII
- 7W3TRD462F
- EC Number
- 220-224-4
- Nikkaji
- J27.708H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.1
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 15 · 15-16 °C
- Boiling point
- 98 · 98-100°C/11mm
- Density
- 1.182 g/mL · 1.182 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.479
- Flash point
- 98 · 98-100°C/11mm
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Slightly), Hexane (Slightly), Methanol (Slightly)
- pka
- -0.95 · -0.95±0.70(Predicted)
- form
- Liquid
- color
- Clear colorless to pale yellow
- BRN
- 969568 · 969568
- InChI
- 1S/C4H8ClNO/c1-6(2)4(7)3-5/h3H2,1-2H3
- InChIKey
- XBPPLECAZBTMMK-UHFFFAOYSA-N
- SMILES
- CN(C)C(=O)CCl
- CAS DataBase Reference
- 2675 · 2675-89-0(CAS DataBase Reference)
- FDA UNII
- 7 W3TRD462F · 7W3TRD462F
- UNSPSC Code
- 12352111 · 12352111
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 270 · P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 22 · 22-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- HS Code
- 29241990 · 29241990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralSkin · Acute Tox. 4 OralSkin Corr. 1B
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 3
- hs_code
- 29241990
- risk_code
- 22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H302-H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1B
- Precautionary statements
- P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-N,N-dimethylacetamide is N,M-dialkyl amide used as an organic catalyst in the preparation of phosphorylated thiosemicarbazide.
Uses2-Chloro-N,N-dimethylacetamide (N,N-dimethylchloroacetamide) was used in the synthesis of (S)-carbinoxamine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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