Basic information
- CAS
16331-96-7- Standard SMILES
COc1ccc2c(c1)C(C)(C)C1(C=Cc3cc([N+](=O)[O-])ccc3O1)N2C- InChIKey
YPVXHRMUYMHMIT-UHFFFAOYSA-N- Molecular formula
- C20H20N2O4
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.14230712
Names & identifiers
- Preferred name
- 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)
- IUPAC
- 5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
- English name
- 1' 3'-DIHYDRO-5'-METHOXY-1' 3' 3'-TRI-M&
- Molecular formula
- C20H20N2O4
- Molecular weight
- 352.38
Names & synonyms
16331-96-71',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]EINECS 240-405-11',3'-Dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)RefChem:70648240-405-1Spiro[2H-1-benzopyran-2,2'-[2H]indole],1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitro-5'-methoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]5'-Methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indoline]YPVXHRMUYMHMIT-UHFFFAOYSA-N
Show more names
Chroma 88Chroma Dye 881' 3'-DIHYDRO-5'-METHOXY-1' 3' 3'-TRI-M&1',3'-DIHYDRO-5'-METHOXY-1',3',3'-TRI-ME1' 3'-DIHYDRO-5'-METHOXY-1' 3' 3'-TRI-M&1',3'-dihydro-5'-methoxy-1',3',3'-tri-me-6 -nitro5'-Methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indoline
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
- 134 · 134-136 °C(lit.)
- Boiling point
- 527.3 · 527.3±50.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 3.16 · 3.16±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers11 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海波以尔化工有限公司[email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海瀚璋科技贸易有限公司13701862181 · [email protected]
上海精津化工科技有限公司021-13817626287 13817626287 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Shanxi Xuanran Import and Export Trade Co., Ltd.+8617735180244 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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