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3-Hydroxyphenothiazine

HCID 74725
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Basic information

CAS
1927-44-2
Standard SMILES
Oc1ccc2c(c1)Sc1ccccc1N2
InChIKey
JAMWHXUWMDVHJF-UHFFFAOYSA-N
Molecular formula
C12H9NOS
Average molar mass
215.27 g/mol
Monoisotopic mass
215.04048508

Names & identifiers

Preferred name
3-Hydroxyphenothiazine
IUPAC
10H-phenothiazin-3-ol
English name
10H-phenothiazin-3-ol
Molecular formula
C12H9NOS
Molecular weight
215.27096

Names & synonyms

10H-Phenothiazin-3-ol3-hydroxyphenothiazineLEUCOPHENOTHIAZONEEINECS 217-663-9UNII-3470A1E0IL3470A1E0ILPHENOTHIAZIN-3-OLDTXSID10172863RefChem:94373DTXCID80953541927-44-2Oprea1_798784
Show more names
SCHEMBL299552JAMWHXUWMDVHJF-UHFFFAOYSA-NBAA92744AT24198NS00045733EN300-6739382Q27256339

Database identifiers

CAS
1927-44-2
PubChem CID
74725
DTXSID
DTXSID10172863
UNII
3470A1E0IL
EC Number
217-663-9
Nikkaji
J199.742D

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
57.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
15
Formal charge
0
Complexity
236

Physicochemical properties

FDA UNII
3470 A1E0IL · 3470A1E0IL
Symbol(GHS)
7 · GHS07,GHS08
Signal word
Warning
Hazard statements
317 · H317-H315-H335-H319-H412-H302-H373
Precautionary statements
261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P273-P501-P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P

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 · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07,GHS08
Hazard statements
H317-H315-H335-H319-H412-H302-H373
Precautionary statements
P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P273-P501-P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

UsesLeucophenothiazone, is an impurity of Phenothiazine (P318040), a key component of antipsychotic and antihistaminic drugs.

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