Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1)
Completing data — refresh the page later to see the latest
Basic information
- CAS
10127-36-3- Standard SMILES
CC[N+](CC)=c1cc2oc3cc(N)cc(N)c3nc-2cc1C.[Cl-]- InChIKey
XBFUWVRRUMSFPH-UHFFFAOYSA-M- Molecular formula
- C17H21ClN4O
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.140389
Names & identifiers
- Preferred name
- Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1)
- IUPAC
- (7,9-diamino-2-methylphenoxazin-3-ylidene)-diethylazanium chloride
- English name
- BRILLIANT CRESYL BLUE
- Molecular formula
- C17H21ClN4O
- Molecular weight
- 332.83
Names & synonyms
Brilliant Cresyl Blue BB1,3-Diamino-7-(diethylamino)-8-methylphenoxazin-5-ium chlorideDTXSID80884446Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1)RefChem:861498DTXCID901023886233-358-310127-36-3Brilliant Blue CEINECS 233-358-3Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride(7,9-diamino-2-methylphenoxazin-3-ylidene)-diethylazanium;chloride
Show more names
BCB-TTCI 51010CI NO 51010CRESYL BLUE 2RNBRILLIANT CRESYL BLUE-BBBRILLIANT CRESYL BLUE STAINBrilliant cresyl Blue-BB,pure,certifiedBrilliant cresyl Blue-BB, certified, pure1,3-diamino-7-(diethylamino)-8-methylphenoxazin-5-iumchloride
1,3-diamino-7-diethylamino-8-methylphenoxazin-5-ium chloride(9-amino-7-imino-2-methylphenoxazin-3-yl)diethylamine, chlorideSCHEMBL6256095SMAXQFJSLRKHJE-UHFFFAOYSA-NSBB057589AKOS024306937AKOS024322600NS00044716
Database identifiers
- CAS
10127-36-3- PubChem CID
- 82377
- DTXSID
DTXSID80884446- EC Number
- 233-358-3
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 581
Physicochemical properties
- form
- Liquid
- color
- Clear blue-purple
- CAS DataBase Reference
- 10127 · 10127-36-3
- EPA Substance Registry System
- -5 · Phenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (10127-36-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
- HS Code
- 32041200 · 32041200
- Toxicity
- 50 · mouse,LD50,intravenous,32mg/kg (32mg/kg),BEHAVIORAL: AGGRESSION,Toxicology and Applied Pharmacology. Vol. 44, Pg. 225, 1978.
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 32041200
- Toxicity
- mouse,LD50,intravenous,32mg/kg (32mg/kg),BEHAVIORAL: AGGRESSION,Toxicology and Applied Pharmacology. Vol. 44, Pg. 225, 1978.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenoxazin-5-ium, 1,3-diamino-7-(diethylamino)-8-methyl-, chloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…