Basic information
- CAS
38076-63-0- Standard SMILES
CC(Cl)C(=O)N1c2ccccc2Sc2ccccc21- InChIKey
NFDHJLPQTVVBOU-UHFFFAOYSA-N- Molecular formula
- C15H12ClNOS
- Average molar mass
- 289.8 g/mol
- Monoisotopic mass
- 289.0328129
Names & identifiers
- Preferred name
- 2-chloro-1-(10H-phenothiazin-10-yl)propan-1-one
- IUPAC
- 2-chloro-1-phenothiazin-10-ylpropan-1-one
- English name
- 2-Chloro-1-(10H-phenothiazin-10-yl)propan-1-one
- Molecular formula
- C15H12ClNOS
- Molecular weight
- 289.78
Names & synonyms
2-chloro-1-(10H-phenothiazin-10-yl)propan-1-oneDTXSID10326203RefChem:468279DTXCID60277317993-539-438076-63-02-chloro-1-phenothiazin-10-ylpropan-1-one2-Chloro-1-phenothiazin-10-yl-propan-1-one10-(2-chloropropanoyl)-10H-phenothiazineNSC5252882-chloro-1-(phenothiazin-10-yl)propan-1-oneorb3022483
Show more names
ASISCHEM C34557AKOS BBS-00005432TIMTEC-BB SBB0101462-chloro-1-(10-phenothiazinyl)propan-1-one2-Chloro-1-(10H-phenothiazin-10-yl)-1-propanone1-Propanone, 2-chloro-1-(10H-phenothiazin-10-yl)-
SCHEMBL11618902TPL0592SBB010146STK088769AKOS000270372AKOS016039860NSC-525288CS-0237446
Database identifiers
- CAS
38076-63-0- PubChem CID
- 352185
- DTXSID
DTXSID10326203- EC Number
- 993-539-4
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Melting point
- 121 °C · 121 °C
- Boiling point
- 496.4 · 496.4±34.0 °C(Predicted)
- Density
- 1.34 · 1.340±0.06 g/cm3(Predicted)
- pka
- -4.42 · -4.42±0.20(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H318-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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)
- GHS05,GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H315-H318-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers11 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [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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