2-Chlorobutyramide
Basic information
- CAS
7462-73-9- Standard SMILES
CCC(Cl)C(N)=O- InChIKey
VJIOSCMTZVXQQU-UHFFFAOYSA-N- Molecular formula
- C4H8ClNO
- Average molar mass
- 121.56 g/mol
- Monoisotopic mass
- 121.02944156
Names & identifiers
- Preferred name
- 2-Chlorobutyramide
- IUPAC
- 2-chlorobutanamide
- English name
- 2-Chlorobutyramide
- Molecular formula
- C4H8ClNO
- Molecular weight
- 121.57
Names & synonyms
2-CHLOROBUTYRAMIDE7462-73-92-chlorobutanamideMFCD00041477NSC402154SCHEMBL112078SCHEMBL11143024DTXSID90322844AKOS009158632NSC-402154AS-87934DA-26397
Show more names
Butanamide, 2-chloro-2-Chlorobutyramide,98%(S)-2-CHLOROBUTANAMIDE
CS-0455431G77583F775822
Database identifiers
- CAS
7462-73-9- PubChem CID
- 344969
- DTXSID
DTXSID90322844- EC Number
- 676-914-4
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 74.1
Physicochemical properties
- Melting point
- 74 · 74-76°C
- Boiling point
- 247.9 · 247.9±13.0 °C(Predicted)
- Density
- 1.134 · 1.134±0.06 g/cm3(Predicted)
- pka
- 14.77 · 14.77±0.50(Predicted)
- BRN
- 1745706 · 1745706
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
2 records
Compound notes
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