N-(butan-2-yl)-2-chloroacetamide
Basic information
- CAS
32322-73-9- Standard SMILES
CCC(C)NC(=O)CCl- InChIKey
NQOKLKIMNNTVAC-UHFFFAOYSA-N- Molecular formula
- C6H12ClNO
- Average molar mass
- 149.62 g/mol
- Monoisotopic mass
- 149.0607417
Names & identifiers
- Preferred name
- N-(butan-2-yl)-2-chloroacetamide
- IUPAC
- N-butan-2-yl-2-chloroacetamide
- English name
- N-(sec-Butyl)-2-chloroacetamide
- Molecular formula
- C6H12ClNO
- Molecular weight
- 149.62
Names & synonyms
N-(butan-2-yl)-2-chloroacetamideRefChem:828369808-694-4N-(sec-butyl)-2-chloroacetamide32322-73-9N-butan-2-yl-2-chloroacetamideMFCD00791326Acetamide, 2-chloro-N-(1-methylpropyl)-N-sec-butyl-2-chloracetamideN-sec-Butyl-2-chloroacetamideSCHEMBL48216002-chloro-N-sec-butyl-acetamide
Show more names
ASINEX-REAG BAS 021468922-chloro-N-sec-butylacetamideN-butan-2-yl-2-chloro-ethanamideN-(sec-butyl)-2-chloroacetamide(SALTDATA: FREE)
SCHEMBL10813595DTXSID50389711NQOKLKIMNNTVAC-UHFFFAOYSA-N2-chloro-N-(methylpropyl)acetamideALBB-009490BBL003704STK501922AKOS000266057
Database identifiers
- CAS
32322-73-9- PubChem CID
- 3138632
- DTXSID
DTXSID50389711- EC Number
- 808-694-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95.1
Physicochemical properties
- Melting point
- 45.5 °C · 45.5°C
- Density
- 1.0823 · 1.0823 (rough estimate)
- refractive index
- 1.5618 · 1.5618 (estimate)
- form
- solid
- InChI
- 1S/C6H12ClNO/c1-3-5(2)8-6(9)4-7/h5H,3-4H2,1-2H3,(H,8,9)
- InChIKey
- NQOKLKIMNNTVAC-UHFFFAOYSA-N
- SMILES
- O=C(CCl)NC(C)CC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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