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Basic information
- Standard SMILES
COc1ccc2cc(C#N)c(=O)oc2c1- InChIKey
GGAFPIBJPYCFGR-UHFFFAOYSA-N- Molecular formula
- C11H7NO3
- Average molar mass
- 201.181 g/mol
- Monoisotopic mass
- 201.04259308
Names & identifiers
- Preferred name
- 3-Cyano-7-methoxycoumarin
- IUPAC
- 7-Methoxy-2-oxo-2H-1-benzopyran-3-carbonitrile
- English name
- 3-Cyano-7-methoxycoumarin
- Molecular formula
- C11H7NO3
- Molecular weight
- 201.18
Names & synonyms
3-Cyano-7-methoxycoumarin7-Methoxy-2-oxo-2H-chromene-3-carbonitrile2H-1-Benzopyran-3-carbonitrile, 7-methoxy-2-oxo-
Database identifiers
- CAS
13229-92-0- PubChem CID
- 688917
- DTXSID
DTXSID00350996- ChEMBL
CHEMBL1330513- EC Number
- 634-352-7
- Nikkaji
- J723.167I
Properties
Physicochemical properties
- Melting point
- 210 · 210-212 °C
- Boiling point
- 389.4 · 389.4±42.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- color
- pale yellow
- InChI
- 1S/C11H7NO3/c1-14-9-3-2-7-4-8(6-12)11(13)15-10(7)5-9/h2-5H,1H3
- InChIKey
- GGAFPIBJPYCFGR-UHFFFAOYSA-N
- SMILES
- COc1ccc2C=C(C#N)C(=O)Oc2c1
- UNSPSC Code
- 12161501 · 12161501
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P301+P310-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- HS Code
- 2932209090 · 2932209090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2932209090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H312-H315-H319-H332-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P310-P305+P351+P338
Chemistry & industry
Applications
Uses3-Cyano-7-methoxycoumarin can be used as a fluorophore in cytochrome P450 (CYP)-based fluorescent assays.
Upstream & downstream products
Upstream raw materials
Suppliers6 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
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Linked notes
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