Basic information
- CAS
6638-64-8- Standard SMILES
O=c1oc2cc([N+](=O)[O-])ccc2c2ccccc12- InChIKey
KWGYGQPIDANWAX-UHFFFAOYSA-N- Molecular formula
- C13H7NO4
- Average molar mass
- 241.2 g/mol
- Monoisotopic mass
- 241.0375077
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Nitro-6H-dibenzo(b,d)pyran-6-one
- IUPAC
- 3-nitrobenzo[c]chromen-6-one
- English name
- 7-Nitro-3,4-benzocoumarin
- Molecular formula
- C13H7NO4
- Molecular weight
- 241.2
Names & synonyms
6638-64-83-Nitro-6H-dibenzo(b,d)pyran-6-one3-Nitro-6H-dibenzo[b,d]pyran-6-one8AG8EV4H446H-Dibenzo(b,d)pyran-6-one, 3-nitro-NSC-48270DTXSID40216603RefChem:5044453-NDBPDTXCID301390943-Nitro-6H-benzo[c]chromen-6-one7-Nitro-3,4-benzocoumarin
Show more names
Ccris 77143-NITRODIBENZOPYRANONE7-Nitro-3,4-benzocoumarin 98%7-Nitro-9-oxaphenanthren-10-oned)pyran-6-one,3-nitro-6h-dibenzo(7-Nitro-3,4-[1,3]butadieno-2H-1-benzopyran-2-one
3-nitrobenzo[c]chromen-6-oneNSC48270UNII-8AG8EV4H44SCHEMBL29900387-Nitro-3,4-benzocoumarin, 98%NSC 48270AKOS0158892373-Nitro-6H-benzo[c]chromen-6-one #
Database identifiers
- CAS
6638-64-8- PubChem CID
- 96017
- DTXSID
DTXSID40216603- UNII
- 8AG8EV4H44
- EC Number
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 203 · 203-205 °C (lit.)
- Boiling point
- 431.5 · 431.5±24.0 °C(Predicted)
- Density
- 1.457 · 1.457±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C13H7NO4/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)18-13/h1-7H
- InChIKey
- KWGYGQPIDANWAX-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc-2c(OC(=O)c3ccccc-23)c1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 AG8EV4H44 · 8AG8EV4H44
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 301 · P301+P310-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, 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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 2
- rtecs
- HP8757700
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 22-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H319
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- Precautionary statements
- P301+P310-P305+P351+P338
Chemistry & industry
Applications
Uses7-Nitro-3,4-benzocoumarin was prepared by the oxidation of 4′-nitrobiphenyl-2-carboxylic acid.
General Description7-Nitro-3,4-benzocoumarin was prepared by the oxidation of 4′-nitrobiphenyl-2-carboxylic acid.
Suppliers5 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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