Basic information
- CAS
60758-84-1- Standard SMILES
CCCOc1ccc(C#N)cc1- InChIKey
VYOPNUZYNSNYRA-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 4-Propoxybenzonitrile
- IUPAC
- 4-propoxybenzonitrile
- English name
- 4-PROPOXYBENZONITRILE
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
4-propoxybenzonitrile60758-84-14-n-PropoxybenzonitrileMFCD001738744-propoxybenzenecarbonitrile4-Propoxy-benzonitrileNSC2816214-PropyloxybenzonitrileSCHEMBL72415orb3030340SCHEMBL3276405SCHEMBL9664394
Show more names
P-PROPOXYBENZONITRILEBenzonitrile, 4-propoxy-4-N-PROPYLOXYBENZONITRILE4-cyanophenyl propyl ether
SCHEMBL17046336DTXSID60314231CHEBI:195068VYOPNUZYNSNYRA-UHFFFAOYSA-NFr14014SBB059141AKOS000114188FP67468
Database identifiers
- CAS
60758-84-1- PubChem CID
- 322939
- DTXSID
DTXSID60314231- ChEBI
CHEBI:195068- Nikkaji
- J1.747.849D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- form
- solid
- color
- Low-melting
- CAS DataBase Reference
- 60758 · 60758-84-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 260 · P260-P280
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-22
- Safety Statements
- 36 · 36/37
- RIDADR
- 3439 · 3439
- Hazard Note
- Harmful
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety data
- ridadr
- 3439
- hs_code
- 2926907090
- risk_code
- 20/21/22-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_note
- Harmful
- safety_code
- 36/37
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P260-P280
Chemistry & industry
Suppliers28 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
九鼎化学（上海）科技有限公司
Related reactions
1 records
Compound notes
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