Basic information
- CAS
786-50-5- Standard SMILES
O=C(CCl)N1c2ccccc2Sc2ccccc21- InChIKey
NVRFGQJNKQLUPU-UHFFFAOYSA-N- Molecular formula
- C14H10ClNOS
- Average molar mass
- 275.8 g/mol
- Monoisotopic mass
- 275.0171628
Names & identifiers
- Preferred name
- 10-(Chloroacetyl)-10H-phenothiazine
- IUPAC
- 2-chloro-1-phenothiazin-10-ylethanone
- English name
- 10-(chloroacetyl)-10H-phenothiazine
- Molecular formula
- C14H10ClNOS
- Molecular weight
- 275.75
Names & synonyms
10-(Chloroacetyl)-10H-phenothiazineEINECS 212-326-2DTXSID00229198NSC 71676NSC 239984RefChem:436984DTXCID20151689212-326-2786-50-52-chloro-1-(10H-phenothiazin-10-yl)ethanone2-chloro-1-(10H-phenothiazin-10-yl)ethan-1-oneMFCD00447407
Show more names
NSC239984SBB009876ZINC005077782-Chloro-1-phenothiazin-10-yl-ethanone2-chloro-1-(10-phenothiazinyl)ethanone
2-chloro-1-phenothiazin-10-ylethanoneCHEMBL165144610H-Phenothiazine, 10-(chloroacetyl)-2-chloro-1-phenothiazin-10-ylethan-1-one10-(Chloroacetyl)-phenothiazine; 2-Chloro-1-(10H-phenothiazin-10-yl)ethanone; N-(Chloroacetyl)phenothiazine; NSC 239984; NSC 71676;NSC71676NCIOpen2_00376210-(chloroacetyl)phenothiazine
Database identifiers
- CAS
786-50-5- PubChem CID
- 69920
- DTXSID
DTXSID00229198- ChEMBL
CHEMBL1651446- EC Number
- 212-326-2
- Nikkaji
- J193.179B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H302-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-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, 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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H315-H302-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses10-(Chloroacetyl)-10H-phenothiazine is useful in the synthesis of phenstatin analogues which exhibits anti-proliferative activity and interaction with tubulin.
Suppliers6 total
郑州汇聚化工有限公司13393710386 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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