Basic information
- CAS
138274-14-3- Standard SMILES
Clc1ncc(OCc2ccccc2)cn1- InChIKey
XOCCSJLRSSDCLM-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O
- Average molar mass
- 220.65 g/mol
- Monoisotopic mass
- 220.0403406
Names & identifiers
- Preferred name
- 5-(Benzyloxy)-2-chloropyrimidine
- IUPAC
- 2-chloro-5-phenylmethoxypyrimidine
- English name
- 2-Chloro-5-(phenylmethoxy)-pyrimidine
- Molecular formula
- C11H9ClN2O
- Molecular weight
- 220.65
Names & synonyms
5-(benzyloxy)-2-chloropyrimidine138274-14-32-CHLORO-5-(PHENYLMETHOXY)-PYRIMIDINE5-Benzyloxy-2-chloropyrimidine2-chloro-5-phenylmethoxypyrimidine5-benzyloxy-2-chloro-pyrimidinePyrimidine, 2-chloro-5-(phenylmethoxy)-MFCD09744017SCHEMBL457443DTXSID00659431XOCCSJLRSSDCLM-UHFFFAOYSA-NAKOS015839400
Show more names
2-Chloro-5-(benzyloxy)-pyrimidine2-chloro-5-(benzenemethoxy)pyrimidineBenzenesulfonylchloride,9-(acetylamino)-5-(benzyloxy)-2-chloropyrimidine138274-14-31,3-Dioxane-4,6-dione,2,2-dimethyl-7-phenyl-2-Chloro-5-(phenylmethoxy)-pyrimidine ISO 9001：2015 REACH
CS-W022252DS-0424FS-2822SB60811AC-23095BP-21005SY014605DB-027960
Database identifiers
- CAS
138274-14-3- PubChem CID
- 44558542
- DTXSID
DTXSID00659431- EC Number
- 138-990-2
- Nikkaji
- J2.672.239J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 387 · 387.0±17.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -1.28 · -1.28±0.22(Predicted)
- Appearance
- Off-white to light yellow Solid
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, P319, P321, P330, P332+P317, P337+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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers96 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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