Basic information
- CAS
6035-94-5- Standard SMILES
CC(=O)O.N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1- InChIKey
YIXIVOYGLPFDCY-UHFFFAOYSA-N- Molecular formula
- C21H21N3O2
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.16337692
Names & identifiers
- Preferred name
- Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate
- IUPAC
- acetic acid;4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline
- English name
- Pararosaniline acetate
- Molecular formula
- C21H21N3O2
- Molecular weight
- 347.41
Names & synonyms
Pararosaniline acetate6035-94-5Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, monoacetateEINECS 227-918-6Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetateBenzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-, acetate (1:1)Benzenamine, 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)-, monoacetateDTXSID6064088Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, acetate (1:1)RefChem:569216DTXCID0042797227-918-6
Show more names
onoacetatePARAMAGENTAPARAFUCHSINCI NO 42500FUCHSIN PARAP-ROSANILINE ACETATELABOTEST-BB LT00159718Pararosaniline acetate,98%
MFCD00012570acetic acid;4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]anilinePARAROSANILINEACETATESCHEMBL19858896AKOS015894990Pararosaniline acetate, Dye content 90 %DB-053605G86206
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Melting point
- 203 °C · 203 °C (dec.)(lit.)
- Boiling point
- 481.96 °C · 481.96°C (rough estimate)
- Density
- 1.1921 · 1.1921 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- room temp
- solubility
- 95 % · 95% ethanol: 0.1%
- form
- solid
- Colour Index
- 42500 · 42500
- Water Solubility
- 1.7 μg/L · 1.7μg/L
- λmax
- 545 nm · 545 nm
- ε(extinction coefficient)
- 11000 at · ≥11000 at 235-241nm in ethanol: water (1:1) at 0.004%≥16000 at 286-292nm in ethanol: water (1:1) at 0.004%≥78000 at 543-549nm in ethanol: water (1:1) at 0.004%
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C19H17N3.C2H4O2/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;1-2(3)4/h1-12,20H,21-22H2;1H3,(H,3,4)
- InChIKey
- YIXIVOYGLPFDCY-UHFFFAOYSA-N
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
This chemical does not meet GHS hazard criteria for 4.7% (2 of 43) of reports.
Warning
H351 (95.3%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate (EC: 227-918-6)
Hazard Classes and CategoriesCarc. 2 (95.3%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 40
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 22-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H351
- REACH Registrations
- Active
- Hazard Classifications
- Carc. 2
- Precautionary statements
- P201-P202-P280-P308+P313-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, acetate (1:1): ACTIVE
Applications
Usesdiagnostic assay manufacturinghematologyhistology
Suppliers22 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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