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Basic information
- CAS
7458-03-9- Standard SMILES
C#CCNC(=O)CCl- InChIKey
HXLOGOSOYYXKCZ-UHFFFAOYSA-N- Molecular formula
- C5H6ClNO
- Average molar mass
- 131.56 g/mol
- Monoisotopic mass
- 131.01379149
Names & identifiers
- Preferred name
- 2-Chloro-N-(prop-2-yn-1-yl)acetamide
- IUPAC
- 2-chloro-N-prop-2-ynylacetamide
- English name
- 2-Chloro-N-prop-2-ynylacetamide
- Molecular formula
- C5H6ClNO
- Molecular weight
- 131.56
Names & synonyms
2-Chloro-N-(prop-2-yn-1-yl)acetamideRefChem:470259801-984-12-chloro-n-prop-2-ynylacetamide7458-03-9MFCD002775202-Chloro-N-prop-2-ynyl-acetamide2-Chloro-N-2-propyn-1-ylacetamideSCHEMBL4795813DTXSID803405772-Chloro-N-(2-propynyl)acetamide #AKOS000119261
Show more names
N-(PROP-2-YNYL)-2-CHLOROACETAMIDEAcetamide, 2-chloro-N-2-propyn-1-yl-2-Chloro-N-propargylacetamide, N-(Chloroacetyl)prop-2-yn-1-amine
Acetamide, 2-chloro-, N-(2-propynyl)-BS-29446DB-303321CS-0207443EN300-23138Z147651658
Database identifiers
- CAS
7458-03-9- PubChem CID
- 565844
- DTXSID
DTXSID80340577- EC Number
- 801-984-1
- Nikkaji
- J3.027.088F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 67 · 67-69
- Boiling point
- 292 · 292.0±25.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- pka
- 12.58 · 12.58±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933599590 · 2933599590
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 (50%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Chemistry & industry
Suppliers11 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
5 records
Compound notes
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