Basic information
- Standard SMILES
CCN(CC)C(=O)CCl- InChIKey
CQQUWTMMFMJEFE-UHFFFAOYSA-N- Molecular formula
- C6H12ClNO
- Average molar mass
- 149.62 g/mol
- Monoisotopic mass
- 149.06074168
Names & identifiers
- Preferred name
- Chloro-N,N-diethylacetamide
- IUPAC
- 2-chloro-N,N-diethylacetamide
- English name
- 2-Chloro-N,N-diethylacetamide
- Molecular formula
- C6H12ClNO
- Molecular weight
- 149.62
Names & synonyms
2-Chloro-N,N-diethylacetamide2315-36-8N,N-DiethylchloroacetamideAcetamide, 2-chloro-N,N-diethyl-N,N-Diethyl-2-chloroacetamidealpha-Chloro-N,N-diethylacetamide2TK444LD3SN,N-diethyl-alpha-chloroacetamideNSC-1726DTXSID7062326CHLORO-N,N-DIETHYLACETAMIDERefChem:86381
Show more names
CDEAtl83WLN: G1VN2&2Caswell No. 333GAKOS BBS-00000866N-diethylacetaMideN,N-Diethyl-2-chloroLABOTEST-BB LT00787906MONOMETHYLFORMAMIDE TECH
DTXCID3036818219-019-2N-ChloroacetyldiethylamineTL 83NSC 1726Diethylamid kyseliny chloroctove2-chloro-N,N-diethyl-acetamide.alpha.-Chloro-N,N-diethylacetamide
Database identifiers
- CAS
2315-36-8- PubChem CID
- 16844
- DTXSID
DTXSID7062326- UNII
- 2TK444LD3S
- EC Number
- 219-019-2
- Nikkaji
- J7.396B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91.1
Experimental & physicochemical properties
SpringerMaterials PropertiesDielectric constant
Physicochemical properties
- Melting point
- 58 °C · 58 °C
- Boiling point
- 121 · 121-122 °C (12 mmHg)
- Density
- 1.089 g/mL · 1.089 g/mL at 25 °C(lit.)
- refractive index
- 1.469 · 1.469-1.471
- Flash point
- 110 °C · >110°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 85.5 g/l · 85.5g/l
- form
- Liquid or Solid
- pka
- -0.95 · -0.95±0.70(Predicted)
- Specific Gravity
- 1.089 · 1.089
- color
- Clear colorless to light yellow
- Water Solubility
- soluble
- BRN
- 605866 · 605866
- Major Application
- agricultureenvironmental
- InChI
- 1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3
- InChIKey
- CQQUWTMMFMJEFE-UHFFFAOYSA-N
- SMILES
- CCN(CC)C(=O)CCl
- CAS DataBase Reference
- 2315 · 2315-36-8(CAS DataBase Reference)
- FDA UNII
- 2 TK444LD3S · 2TK444LD3S
- NIST Chemistry Reference
- 2 · Acetamide, 2-chloro-N,N-diethyl-(2315-36-8)
- EPA Substance Registry System
- 2 · Acetamide, 2-chloro-N,N-diethyl- (2315-36-8)
- UNSPSC Code
- 12352111 · 12352111
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H311-H315-H319-H330-H335
- Precautionary statements
- 260 · P260-P280-P301+P312-P302+P352+P312-P304+P340+P310-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T+,Xn,Xi,F
- Risk Statements
- 36 · 36/37/38-26-21/22-20/21/22-38-11
- Safety Statements
- 45 · 45-38-36/37/39-28A-26-28-36-16
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- RTECS
- 5425000 · AB5425000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29241900 · 29241900
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 1 InhalationAcute · Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 orally · LD50 orally in Rabbit: 500 mg/kg LD50 dermal Rat 980 mg/kg
- Limited Quantities
- 5 kg · 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 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationAcetamide, 2-chloro-N,N-diethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (91.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AB5425000
- ridadr
- 2810
- hs_code
- 29241900
- Toxicity
- LD50 orally in Rabbit: 500 mg/kg LD50 dermal Rat 980 mg/kg
- risk_code
- 36/37/38-26-21/22-20/21/22-38-11
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+,Xn,Xi,F
- safety_code
- 45-38-36/37/39-28A-26-28-36-16
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H311-H315-H319-H330-H335
- Limited Quantities
- 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. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P260-P280-P301+P312-P302+P352+P312-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, 2-chloro-N,N-diethyl-: ACTIVE
Applications
Uses2-Chloro-N,N-diethylacetamide has been used in:preparation of calixarene amidessynthesis of 5-bromo-25,26,27,28-tetrakis[(N,N-diethylaminocarbonyl)-methoxy]calix[4]arenesynthesis of amide calix[4]pyrrole macrocycles with super-extended cavitiesmicrowave-assisted organic synthesis of 3-cyano-N,N-diethyl-4-(4-methoxyphenoyl)-4-oxobutanamide
Upstream & downstream products
Upstream raw materials
Downstream products
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