1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)
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![1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a5a6e636725f491a90e77e0126a32928.png "1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)")
1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)
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CAS No:
330645-87-9
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Formula:
C11H15ClN5O.F6P
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Chemical Name:
1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)
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Synonyms:
1H-Benzotriazolium,1-[bis(dimethylamino)methylene]-5-chloro-,3-oxide,hexafluorophosphate(1-) (1:1);1H-Benzotriazolium,1-[bis(dimethylamino)methylene]-5-chloro-,hexafluorophosphate(1-),3-oxide;1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1);HCTU;490019-20-0;1692086-44-4
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CAS No:
1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1) Basic Attributes
413.69
413.06100
1308068-626-2
DTXSID00655231
29339990
Safety Information
NONH for all modes of transport
3
20/21/22-36/37/38
26-36-24/25
Xi,Xn
P210, P240, P241, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, P501
H228
|Warning|H228 (43.75%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 18 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:413.69
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:413.0606938
Monoisotopic Mass:413.0606938
Topological Polar Surface Area:46.2
Heavy Atom Count:25
Complexity:381
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)
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