Basic information
- CAS
200573-11-1- Standard SMILES
COC(=O)c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12- InChIKey
BDXDWDCWSCPFEW-UHFFFAOYSA-N- Molecular formula
- C13H9F3O5S
- Average molar mass
- 334.27 g/mol
- Monoisotopic mass
- 334.01227905
Names & identifiers
- Preferred name
- Methyl 2-trifluoromethanesulfonyloxy-1-naphthoate
- IUPAC
- methyl 2-(trifluoromethylsulfonyloxy)naphthalene-1-carboxylate
- English name
- Methyl 2-trifluoromethanesulfonyloxy-1-naphthoate
- Molecular formula
- C13H9F3O5S
- Molecular weight
- 334.27
Names & synonyms
200573-11-1METHYL 2-TRIFLUOROMETHANESULFONYLOXY-1-NAPHTHOATEDTXSID70452799RefChem:354473DTXCID00403618Methyl 2-(((trifluoromethyl)sulfonyl)oxy)-1-naphthoateMETHYL 2-TRIFLUOROMETHYLSULFONYLOXY-1-NAPHTHOATEMethyl 2-(trifluoromethylsulfonyloxy)naphthalene-1-carboxylatemethyl 2-(trifluoromethanesulfonyloxy)naphthalene-1-carboxylate1-Naphthalenecarboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl esterMFCD04039773Methyl 2-[[(Trifluoromethyl)sulfonyl]oxy]-1-naphthoate
Show more names
Methyl 2-trifluoromethylsulfonyloxy-1-naphthoate, 98%
SCHEMBL7513949AKOS027320231AS-73694SY492152CS-0361703D97839F753084methyl 2-(trifluoromethylsulfonyloxy)-1-naphthoate
Database identifiers
- CAS
200573-11-1
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Melting point
- 41 · 41-43°C
- Boiling point
- 421.9 · 421.9±45.0 °C(Predicted)
- Density
- 1.499 · 1.499±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers10 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
昆明贵金属研究所18987894742 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
Related reactions
13 records
Compound notes
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