Basic information
- CAS
3056-93-7- Standard SMILES
Cc1[nH]c2ccccc2c1C=CC1=[N+](C)c2ccccc2C1(C)C.[Cl-]- InChIKey
ZOMLUNRKXJYKPD-UHFFFAOYSA-N- Molecular formula
- C22H23ClN2
- Average molar mass
- 350.9 g/mol
- Monoisotopic mass
- 350.1549764
Overview
See also: C.I. Basic Orange 21 (preferred).
Names & identifiers
- Preferred name
- C.I.Basic Orange 21
- IUPAC
- 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium chloride
- English name
- BASIC ORANGE 21
- Molecular formula
- C22H23ClN2
- Molecular weight
- 350.88
Names & synonyms
C.I.Basic Orange 211,3,3-trimethyl-2-[(1E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium chloride1,3,3-Trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethen-1-yl]-3H-indol-1-ium chloride1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium;chlorideorangezhCI 48035nabororangeggenacrylorangegBASIC ORANGE 21SEVRON ORANGE Gsumiacrylorangegcationicorangezh
Show more names
Orlamar Orange Gc.i.basicorange21
Database identifiers
- CAS
3056-93-7- PubChem CID
- 18284
- DTXSID
DTXSID6051984
Properties
Computed structural properties
- Topological polar surface area
- 18.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 544
Physicochemical properties
- storage temp.
- room temp
- solubility
- 1 · methanol: water (1:1): 10mg/mL, clear to hazy, red-orange
- Colour Index
- 48035 · 48035
- form
- powder
- λmax
- 490 nm · 490 nm
- ε(extinction coefficient)
- 19000 at · ≥19000 at 487-493nm≥3000 at 268-274nm
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C22H22N2.ClH/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;/h5-14H,1-4H3;1H
- InChIKey
- ZOMLUNRKXJYKPD-UHFFFAOYSA-N
- SMILES
- [Cl-].Cc1[nH]c2ccccc2c1\C=C\C3=[N+](C)c4ccccc4C3(C)C
- EPA Substance Registry System
- 1 H-Indole, · 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-[2-(2-methyl-3H-indol-3-ylidene)ethylidene]-, hydrochloride (1:1) (3056-93-7)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NM2251000
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-28-36/37/39-45
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P280-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
UsesMetachromatic dye
Preparation methods
Preparation2-(1,3,3-Trimethylindolin-2-yl)acetaldehyde and 2-Methyl-2H-indazolein 90 ℃ in the condensation, and then dumped into the water, and translated into chloride.
Upstream & downstream products
Upstream raw materials
Suppliers53 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…