Basic information
- CAS
832737-32-3- Standard SMILES
COc1cc(C#N)ccc1OC(F)F- InChIKey
QXTCZOITVDAGKZ-UHFFFAOYSA-N- Molecular formula
- C9H7F2NO2
- Average molar mass
- 199.15 g/mol
- Monoisotopic mass
- 199.04448479
Names & identifiers
- Preferred name
- 4-(Difluoromethoxy)-3-methoxybenzonitrile
- IUPAC
- 4-(difluoromethoxy)-3-methoxybenzonitrile
- English name
- 4-Difluoromethoxy-3-methoxy-benzonitrile
- Molecular formula
- C9H7F2NO2
- Molecular weight
- 199.15
Names & synonyms
4-(difluoromethoxy)-3-methoxybenzonitrile832737-32-3RefChem:288835MFCD049691594-Difluoromethoxy-3-methoxy-benzonitrile4-(difluoromethoxy)-3-methoxy-benzonitrile4-(difluoromethoxy)-3-methoxybenzenecarbonitrileAKOS B018637QXTCZOITVDAGKZ-UHFFFAOYSA-NART-CHEM-BB B018637DTXSID1012715965-Cyano-2-(difluoromethoxy)anisole
Show more names
Benzonitrile, 4-(difluoromethoxy)-3-methoxy-
ALBB-003613BBL038510SBB021783STK312174AKOS000309348SB85541LS-01276SY080041
Database identifiers
- CAS
832737-32-3- PubChem CID
- 2060880
- DTXSID
DTXSID101271596- EC Number
- 978-959-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 262.1 · 262.1±40.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
西安峥豪生物科技有限责任公司19829389091 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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