Basic information
- CAS
1498-89-1- Standard SMILES
COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(C)c2ccccc2C1(C)C- InChIKey
IZDVWQPIYXTGIF-UHFFFAOYSA-N- Molecular formula
- C20H20N2O4
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.14230712
Names & identifiers
- Preferred name
- 1',3'-dihydro-8-methoxy-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)
- IUPAC
- 8-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
- English name
- 1' 3'-DIHYDRO-8-METHOXY-1' 3' 3'-TRI-ME&
- Molecular formula
- C20H20N2O4
- Molecular weight
- 352.38
Names & synonyms
1498-89-11',3'-dihydro-8-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]EINECS 216-103-0NSC 2061751',3'-Dihydro-8-methoxy-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)RefChem:70650216-103-08-Methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indoline]Spiro[2H-1-benzopyran-2,2'-indoline], 8-methoxy-1',3',3'-trimethyl-6-nitro-Spiro[2H-1-benzopyran-2,2'-[2H]indole],1',3'-dihydro-8-methoxy-1',3',3'-trimethyl-6-nitro-MFCD002166088-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
Show more names
SpiropyranMNSP6-Nitro-8-methoxy BIPS1' 3'-DIHYDRO-8-METHOXY-1' 3' 3'-TRI-ME&1',3'-dihydro-8-methoxy-1',3',3'-tri-me-6-nitrosp8-Methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indoline1,3,3-Trimethyl-6'-nitro-8'-methoxyspiro[indoline-2,2'-[2H][1]benzopyran]1,3,3-Trimethyl-8'-methoxy-6'-nitrospiro[1H-indole-2(3H),2'-[2H-1]benzopyran]
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 601
Physicochemical properties
- Melting point
- 159 · 159-162 °C(lit.)
- form
- powder to crystal
- color
- Light yellow to Brown to Dark green
- InChI
- 1S/C20H20N2O4/c1-19(2)15-7-5-6-8-16(15)21(3)20(19)10-9-13-11-14(22(23)24)12-17(25-4)18(13)26-20/h5-12H,1-4H3
- InChIKey
- IZDVWQPIYXTGIF-UHFFFAOYSA-N
- SMILES
- COc1cc(cc2C=CC3(Oc12)N(C)c4ccccc4C3(C)C)[N+]([O-])=O
- CAS DataBase Reference
- 1498 · 1498-89-1
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- 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
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2934.99.9001
- 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
Uses6-NO2-8-OMe-BIPS can be potentially used in a variety of applications such as switching devices, signal transducer receptors, and optical imaging processes.
General Description1′,3′-Dihydro-8-methoxy-1′,3′,3′-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-(2H)-indole] (6-NO2-8-OMe-BIPS) is a spiropyran based photochromic dye. It has a nitro group that enhances the overall quantum yield of the photochemical system.
Upstream & downstream products
Upstream raw materials
Suppliers31 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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