Basic information
- CAS
57543-71-2- Standard SMILES
COc1ccc2c(c1)C=C(C#N)CO2- InChIKey
QFFAZOPNBVZSGX-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 6-methoxy-2H-chromene-3-carbonitrile
- IUPAC
- 6-methoxy-2H-chromene-3-carbonitrile
- English name
- 6-METHOXY-2H-CHROMENE-3-CARBONITRILE
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
6-methoxy-2H-chromene-3-carbonitrileRefChem:543628882-807-557543-71-26-Methoxy-2H-1-benzopyran-3-carbonitrile2H-1-BENZOPYRAN-3-CARBONITRILE, 6-METHOXY-MFCD00202032BRN 13706586-methoxy-2h-3-chromenecarbonitrile6-methoxy-2h-1-benzopyran-3-carbonitrilBionet2_000290Oprea1_669973
Show more names
3-Cyano-6-methoxychromene
SCHEMBL545307DTXSID10206172QFFAZOPNBVZSGX-UHFFFAOYSA-NHMS1364N04HCA54371SBB090570AKOS0050702994G-403S
Database identifiers
- CAS
57543-71-2- PubChem CID
- 42440
- DTXSID
DTXSID10206172- EC Number
- 882-807-5
- Nikkaji
- J132.063G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 75 ° · 75°
- Boiling point
- 75 °C · 75°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2932990090 · 2932990090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers15 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
Related reactions
2 records
Compound notes
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