Basic information
- CAS
40838-34-4- Standard SMILES
COc1coc(CCl)cc1=O- InChIKey
ZZYXUGFBXVXINX-UHFFFAOYSA-N- Molecular formula
- C7H7ClO3
- Average molar mass
- 174.58 g/mol
- Monoisotopic mass
- 174.0083718
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-5-methoxy-4H-pyran-4-one
- IUPAC
- 2-(chloromethyl)-5-methoxypyran-4-one
- English name
- 2-(chloromethyl)-5-methoxy-4H-pyran-4-one(SALTDATA: FREE)
- Molecular formula
- C7H7ClO3
- Molecular weight
- 174.58
Names & synonyms
2-(Chloromethyl)-5-methoxy-4H-pyran-4-one40838-34-4DTXSID40340492RefChem:460294DTXCID60291573824-290-02-Chloromethyl-5-methoxy-pyran-4-one2-(chloromethyl)-5-methoxypyran-4-oneMFCD041226574H-Pyran-4-one, 2-(chloromethyl)-5-methoxy-ghl.PD_Mitscher_leg0.200SCHEMBL2795255
Show more names
2-(chloromethyl)-5-methoxy-4-pyranone2-(chloromethyl)-5-methoxy-4H-pyran-4-one(SALTDATA: FREE)
ZZYXUGFBXVXINX-UHFFFAOYSA-ZZYXUGFBXVXINX-UHFFFAOYSA-NALBB-024753STL433376AKOS0052085192-(chloromethyl)-5-methoxy-pyran-4-oneLS-08181DB-191738
Database identifiers
- CAS
40838-34-4- PubChem CID
- 565178
- DTXSID
DTXSID40340492- EC Number
- 824-290-0
- Nikkaji
- J512.468I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 118 °C · 118 °C
- Boiling point
- 317.5 · 317.5±42.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京雷正医药科技有限公司025-58869118 18626091766 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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