4-Chlorobutyramide
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Basic information
- CAS
2455-04-1- Standard SMILES
NC(=O)CCCCl- InChIKey
XYOXIERJKILWCG-UHFFFAOYSA-N- Molecular formula
- C4H8ClNO
- Average molar mass
- 121.56 g/mol
- Monoisotopic mass
- 121.0294416
Names & identifiers
- Preferred name
- 4-Chlorobutyramide
- IUPAC
- 4-chlorobutanamide
- English name
- 4-chlorobutyramide
- Molecular formula
- C4H8ClNO
- Molecular weight
- 121.57
Names & synonyms
4-ChlorobutyramideDTXSID40179289EINECS 219-526-9NSC 19916RefChem:521975DTXCID20101780219-526-94-chlorobutanamide2455-04-1Butanamide, 4-chloro-MFCD097396193L3TW24CTR
Show more names
4-chlorobutanamide(SALTDATA: FREE)
NSC-19916NSC19916Lenvatinib Impurity 188UNII-3L3TW24CTRSCHEMBL112079Lenvatinib Mesilate Impurity 2SCHEMBL6579321ALBB-018689
Database identifiers
- CAS
2455-04-1- PubChem CID
- 75564
- DTXSID
DTXSID40179289- UNII
- 3L3TW24CTR
- EC Number
- 219-526-9
- Nikkaji
- J216.092G
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64
Physicochemical properties
- Melting point
- 99 · 99-100 °C(Solv: benzene (71-43-2))
- Boiling point
- 294.8 · 294.8±23.0 °C(Predicted)
- Density
- 1.138 · 1.138±0.06 g/cm3(Predicted)
- pka
- 16.37 · 16.37±0.40(Predicted)
- form
- solid
- InChI
- 1S/C4H8ClNO/c5-3-1-2-4(6)7/h1-3H2,(H2,6,7)
- InChIKey
- XYOXIERJKILWCG-UHFFFAOYSA-N
- SMILES
- O=C(CCCCl)N
- FDA UNII
- 3 L3TW24CTR · 3L3TW24CTR
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- WGK Germany
- 3 · WGK 3
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
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Related reactions
3 records
Compound notes
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