Basic information
- CAS
41295-55-0- Standard SMILES
COc1ccc2c(CCl)cc(=O)oc2c1- InChIKey
ISPBECDEFRIYTA-UHFFFAOYSA-N- Molecular formula
- C11H9ClO3
- Average molar mass
- 224.64 g/mol
- Monoisotopic mass
- 224.0240218
Names & identifiers
- Preferred name
- 4-Chloromethyl-7-methoxy-chromen-2-one
- IUPAC
- 4-(chloromethyl)-7-methoxychromen-2-one
- English name
- 4-CHLOROMETHYL-7-METHOXY-CHROMEN-2-ONE
- Molecular formula
- C11H9ClO3
- Molecular weight
- 224.64
Names & synonyms
41295-55-04-Chloromethyl-7-methoxy-chromen-2-oneDTXSID70358661RefChem:292128DTXCID903097164-(chloromethyl)-7-methoxy-2H-chromen-2-one4-(chloromethyl)-7-methoxychromen-2-oneMFCD037312592H-1-Benzopyran-2-one,4-(chloromethyl)-7-methoxy-Enamine_0051924-(Chloromethyl)-7-methoxy-2H-1-benzopyran-2-oneSCHEMBL6229629
Show more names
4-chloromethyl-7-methoxycoumarinHMS1408L22RBA29555BBL030087SBB038096STK801902AKOS000267859AS-9331
Database identifiers
- CAS
41295-55-0- PubChem CID
- 908367
- DTXSID
DTXSID70358661- EC Number
- 999-731-4
- Nikkaji
- J2.422.062A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 194 · 194-195 °C
- Boiling point
- 373 · 373.0±42.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- form
- Solid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 271 · P271-P260-P280
- Risk Statements
- 20 · 20/22
- Safety Statements
- 36 · 36/37
- HS Code
- 29321900 · 29321900
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, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29321900
- risk_code
- 20/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- safety_code
- 36/37
- Hazard statements
- H314
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Suppliers18 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
思乐拓普（南京）科技有限责任公司15156792748 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
福州福康医药科技有限公司18150835816 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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