Basic information
- CAS
33869-21-5- Standard SMILES
Nc1cc2oc3cc(=O)c(-c4ccc(O)cc4O)cc-3nc2cc1-c1ccc(O)cc1O- InChIKey
ABNVFGQXCGFSFH-UHFFFAOYSA-N- Molecular formula
- C24H16N2O6
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.10083623
Overview
See other relationships...
Names & identifiers
- Preferred name
- 7-Amino-2,8-bis(2,4-dihydroxyphenyl)phenoxazin-3-one
- IUPAC
- 7-amino-2,8-bis(2,4-dihydroxyphenyl)phenoxazin-3-one
- English name
- LACMOID
- Molecular formula
- C24H16N2O6
- Molecular weight
- 428.39
Names & synonyms
33869-21-57-AMINO-2,8-BIS(2,4-DIHYDROXYPHENYL)PHENOXAZIN-3-ONECHEMBL4789704MFCD000050357-amino-2,8-bis(2,4-dihydroxyphenyl)-3H-phenoxazin-3-oneSCHEMBL2609269ABNVFGQXCGFSFH-UHFFFAOYSA-NBDBM50553251AKOS015894741(2E)-7-amino-8-(2,4-dihydroxyphenyl)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-10H-phenoxazin-3-oneST108606CS-0206256
Show more names
LACMOIDCI 51400ResorceinIRIS BLUE BCI NO 51400RESORCIN BLUEResorcein BlueRESORCINOL BLUEFLUORESCENT BLUELACMOID INDICATOR
F635894
Database identifiers
- CAS
33869-21-5- PubChem CID
- 3940532
- DTXSID
DTXSID70657601- ChEMBL
CHEMBL4789704
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 853
Physicochemical properties
- Melting point
- 250 °C · >250°C
- Boiling point
- 785.7 · 785.7±60.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- room temp
- solubility
- Sparingly soluble in water, ether; soluble in water, ethanol, methanol, amyl alcohol, Hacetone, acetic acid; practically insoluble in chloroform, benzene, petroleum ether
- pka
- 5.31 · 5.31(at 25℃)
- form
- powder
- color
- Black-violet
- PH Range
- Red (4.4) to blue (6.4)
- Water Solubility
- Slightly soluble in water
- λmax
- 611 nm · 611nm
- Major Application
- Electrochromic devices, photosensitive materials, parasiticides, hair dyes, cosmetics, ointment for hemorrhoids
- InChI
- 1S/C24H16N2O6/c25-17-9-23-18(7-15(17)13-3-1-11(27)5-20(13)29)26-19-8-16(22(31)10-24(19)32-23)14-4-2-12(28)6-21(14)30/h1-10,27-30H,25H2
- InChIKey
- ABNVFGQXCGFSFH-UHFFFAOYSA-N
- SMILES
- Nc1cc2OC3=CC(=O)C(=CC3=Nc2cc1-c4ccc(O)cc4O)c5ccc(O)cc5O
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesLacmoid is a stain/dye. Dyes and metabolites.
Suppliers17 total
北京华美互利生物化工010-56205725 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
沈阳依莱普克斯化工有限公司024-31124838 15840046119 · [email protected]
广东大小化工有限公司171603 18666171603 · [email protected]
海南瀚海致远生物科技有限公司18171012772 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Aladdin Scientific[email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
南通信合生物科技有限公司13813727166，15370460228; 13813727166 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
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Compound notes
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