Basic information
- CAS
22813-58-7- Standard SMILES
CN(C)C(=O)CCCCl- InChIKey
FYVXMHXMWHEEHI-UHFFFAOYSA-N- Molecular formula
- C6H12ClNO
- Average molar mass
- 149.62 g/mol
- Monoisotopic mass
- 149.06074168
Names & identifiers
- Preferred name
- 4-chloro-N,N-dimethylbutyramide
- IUPAC
- 4-chloro-N,N-dimethylbutanamide
- English name
- N,N-DIMETHYL-4-CHLOROBUTANAMIDE
- Molecular formula
- C6H12ClNO
- Molecular weight
- 149.62
Names & synonyms
4-chloro-N,N-dimethylbutanamide22813-58-74-Chloro-N,N-dimethylbutyramideEINECS 245-244-0DTXSID20177369RefChem:521784DTXCID5099860245-244-0Butanamide, 4-chloro-N,N-dimethyl-MFCD04973966N,N-DIMETHYL-4-CHLOROBUTANAMIDESCHEMBL9201490
Show more names
4-Chloro-N,N-dimethyl-butyramide83T665YQ5EALBB-012354Butyramide, 4-chloro-N,N-dimethyl-AKOS000140446DA-20906LS-03869SY084571
Database identifiers
- CAS
22813-58-7- PubChem CID
- 89852
- DTXSID
DTXSID20177369- UNII
- 83T665YQ5E
- EC Number
- 245-244-0
- Nikkaji
- J286.320K
Properties
Computed structural properties
- XLogP
- 0.6
- 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
- 93.1
Physicochemical properties
- Boiling point
- 90 · 90-95 °C(Press: 3.5 Torr)
- Density
- 1.043 · 1.043±0.06 g/cm3(Predicted)
- pka
- -0.51 · -0.51±0.70(Predicted)
- FDA UNII
- 83 T665YQ5E · 83T665YQ5E
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-P405-P501
- HazardClass
- IRRITANT
- HS Code
- 2924297099 · 2924297099
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2924297099
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- IRRITANT
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Chemistry & industry
Suppliers19 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
成都信立诺医药科技有限公司+86-0838-2319818 +86-15982001943 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
Related reactions
10 records
Compound notes
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