Basic information
- CAS
363185-45-9- Standard SMILES
CC(C)Oc1cccc(C#N)c1- InChIKey
OYUCWSBVVRRERP-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
Names & identifiers
- Preferred name
- 3-(Propan-2-yloxy)benzonitrile
- IUPAC
- 3-propan-2-yloxybenzonitrile
- English name
- 3-isopropoxybenzonitrile
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
3-(propan-2-yloxy)benzonitrile363185-45-9RefChem:496008996-801-63-isopropoxybenzonitrile3-propan-2-yloxybenzonitrileMFCD099335723-Isopropoxy-benzonitrileSCHEMBL757193SCHEMBL17529630OYUCWSBVVRRERP-UHFFFAOYSA-NNPA18545
Show more names
Benzonitrile, 3-(1-methylethoxy)-
AKOS000114293DA-06418CS-0216637EN300-53271G10148Z54464105
Database identifiers
- CAS
363185-45-9- PubChem CID
- 22344016
- EC Number
- 996-801-6
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 248.3 · 248.3±23.0 °C(Predicted)
- Density
- 1.03 · 1.03±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
- HS Code
- 2926907090 · 2926907090
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
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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